RCSB PDB: Search

2XEF \| pdb_00002xef	Download File View File

Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P8

Zhang, A.X., Murelli, R.P., Barinka, C., Michel, J., Cocleaza, A., Jorgensen, W.L., Lubkowski, J., Spiegel, D.A.

(2010) J Am Chem Soc 132: 12711

Released	2010-09-08
Method	X-RAY DIFFRACTION 1.59 Å
Organisms	Homo sapiens
Macromolecule	GLUTAMATE CARBOXYPEPTIDASE 2 (protein)
Unique Ligands	AR8, CA, CL, NAG, ZN
Unique branched monosaccharides	BMA, MAN, NAG

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2XEG \| pdb_00002xeg	Download File View File

Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4

Zhang, A.X., Murelli, R.P., Barinka, C., Michel, J., Cocleaza, A., Jorgensen, W.L., Lubkowski, J., Spiegel, D.A.

(2010) J Am Chem Soc 132: 12711

Released	2010-09-08
Method	X-RAY DIFFRACTION 1.59 Å
Organisms	Homo sapiens
Macromolecule	GLUTAMATE CARBOXYPEPTIDASE 2 (protein)
Unique Ligands	CA, CI9, CL, NAG, ZN
Unique branched monosaccharides	BMA, MAN, NAG

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2XEI \| pdb_00002xei	Download File View File

Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P2

Zhang, A.X., Murelli, R.P., Barinka, C., Michel, J., Cocleaza, A., Jorgensen, W.L., Lubkowski, J., Spiegel, D.A.

(2010) J Am Chem Soc 132: 12711

Released	2010-09-08
Method	X-RAY DIFFRACTION 1.69 Å
Organisms	Homo sapiens
Macromolecule	GLUTAMATE CARBOXYPEPTIDASE 2 (protein)
Unique Ligands	ARK, CA, CL, NAG, ZN
Unique branched monosaccharides	BMA, MAN, NAG

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2XEJ \| pdb_00002xej	Download File View File

Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor

Zhang, A.X., Murelli, R., Barinka, C., Michel, J., Cocleaza, A., Jorgensen, W.L., Lubkowski, J., Spiegel, D.A.

(2010) J Am Chem Soc 132: 12711

Released	2010-09-08
Method	X-RAY DIFFRACTION 1.78 Å
Organisms	Homo sapiens
Macromolecule	GLUTAMATE CARBOXYPEPTIDASE 2 (protein)
Unique Ligands	CA, CL, NAG, OKD, ZN
Unique branched monosaccharides	BMA, MAN, NAG

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3DG8 \| pdb_00003dg8	Download File View File

Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP

Dasgupta, T., Chitnumsub, P., Maneeruttanarungroj, C., Kamchonwongpaisan, S., Nichols, S., Lyons, T.M., Tirado-Rives, J., Jorgensen, W.L., Yuthavong, Y., Anderson, K.S.

(2009) ACS Chem Biol 4: 29-40

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.58 Å
Organisms	Plasmodium falciparum
Macromolecule	Bifunctional dihydrofolate reductase-thymidylate synthase (protein)
Unique Ligands	NDP, RJ6, UMP

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3DGA \| pdb_00003dga	Download File View File

Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP

Dasgupta, T., Chitnumsub, P., Maneeruttanarungroj, C., Kamchonwongpaisan, S., Nichols, S., Lyons, T.M., Tirado-Rives, J., Jorgensen, W.L., Yuthavong, Y., Anderson, K.S.

(2009) ACS Chem Biol 4: 29-40

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Plasmodium falciparum
Macromolecule	Bifunctional dihydrofolate reductase-thymidylate synthase (protein)
Unique Ligands	NDP, RJ1, UMP

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3JS2 \| pdb_00003js2	Download File View File

Crystal structure of minimal kinase domain of fibroblast growth factor receptor 1 in complex with 5-(2-thienyl)nicotinic acid

Bae, J.H., Ravindranathan, K.P., Mandiyan, V., Ekkati, A.R., Schlessinger, J., Jorgensen, W.L.

(2010) J Med Chem 53: 1662-1672

Released	2010-02-23
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	Basic fibroblast growth factor receptor 1 (protein)
Unique Ligands	PO4, VM1

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3ZRC \| pdb_00003zrc	Download File View File

pVHL54-213-EloB-EloC complex (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE bound

Van Molle, I., Buckley, D.L., Crews, C.M., Ciulli, A.

(2012) J Am Chem Soc 134: 4465

Released	2012-03-07
Method	X-RAY DIFFRACTION 2.9 Å
Organisms	Homo sapiens
Macromolecule	TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1 (protein) TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2 (protein) VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR (protein)
Unique Ligands	L8B

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3ZRF \| pdb_00003zrf	Download File View File

pVHL54-213-EloB-EloC complex_apo

Van Molle, I., Buckley, D.L., Crews, C.M., Ciulli, A.

(2012) J Am Chem Soc 134: 4465

Released	2012-03-07
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Homo sapiens
Macromolecule	TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1 (protein) TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2 (protein) VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR, (protein)

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3ZUN \| pdb_00003zun	Download File View File

pVHL54-213-EloB-EloC complex_(2S,4R)-4-hydroxy-1-(2-(3-methylisoxazol- 5-yl)acetyl)-N-(4-nitrobenzyl)pyrrolidine-2-carboxamide bound

Van Molle, I., Buckley, D., Crews, C.M., Ciulli, A.

To be published

Released	2012-07-25
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Homo sapiens
Macromolecule	TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1 (protein) TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2 (protein) VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR (protein)
Unique Ligands	GOL, ZUN

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4B95 \| pdb_00004b95	Download File View File

pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound

Buckley, D.L., Gustafson, J.L., VanMolle, I., Roth, A.G., SeopTae, H., Gareiss, P.C., Jorgensen, W.L., Ciulli, A., Crews, C.M.

(2012) Angew Chem Int Ed Engl 51: 11463

Released	2012-10-24
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Homo sapiens
Macromolecule	TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1 (protein) TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2 (protein) VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR (protein)
Unique Ligands	ACT, UCK

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4B9K \| pdb_00004b9k	Download File View File

pVHL-ELOB-ELOC complex_(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide bound

Buckley, D.L., Gustafson, J.L., VanMolle, I., Roth, A.G., SeopTae, H., Gareiss, P.C., Jorgensen, W.L., Ciulli, A., Crews, C.M.

(2012) Angew Chem Int Ed Engl 51: 11463

Released	2012-10-24
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1 (protein) TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2 (protein) VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR (protein)
Unique Ligands	ACT, TG0

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4H4M \| pdb_00004h4m	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor

Frey, K.M., Anderson, K.S.

(2012) J Am Chem Soc 134: 19501-19503

Released	2012-12-05
Method	X-RAY DIFFRACTION 2.85 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	Reverse transcriptase/ribonuclease H, Exoribonuclease H, p51 RT (protein) Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT (protein)
Unique Ligands	494, EDO

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4H4O \| pdb_00004h4o	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor

Frey, K.M., Anderson, K.S.

(2012) J Am Chem Soc 134: 19501-19503

Released	2012-12-05
Method	X-RAY DIFFRACTION 2.9 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	Reverse transcriptase/ribonuclease H, Exoribonuclease H, p51 RT (protein) Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT (protein)
Unique Ligands	506

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4KKO \| pdb_00004kko	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor

Frey, K.M., Anderson, K.S.

(2013) Bioorg Med Chem Lett 23: 5209-5212

Released	2013-08-14
Method	X-RAY DIFFRACTION 2.89 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	1RE

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4KO0 \| pdb_00004ko0	Download File View File

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135)

Das, K., Bauman, J.D., Arnold, E.

(2013) Bioorg Med Chem Lett 23: 5209-5212

Released	2013-08-14
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	EDO, JLJ, SO4

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4LSL \| pdb_00004lsl	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor

Frey, K.M., Anderson, K.S.

(2014) Chem Biol Drug Des 83: 541-549

Released	2013-12-25
Method	X-RAY DIFFRACTION 2.69 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	1YQ

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4LSN \| pdb_00004lsn	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor

Gray, W.T., Frey, K.M., Anderson, K.S.

(2014) Chem Biol Drug Des 83: 541-549

Released	2013-12-25
Method	X-RAY DIFFRACTION 3.1 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	1YR

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4MFB \| pdb_00004mfb	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor

Frey, K.M., Anderson, K.S.

(2013) J Am Chem Soc 135: 16705-16713

Released	2013-11-06
Method	X-RAY DIFFRACTION 2.88 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	29T

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4O44 \| pdb_00004o44	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor

Mislak, A.C., Frey, K.M., Anderson, K.S.

(2014) Biochim Biophys Acta 1840: 2203-2211

Released	2014-05-21
Method	X-RAY DIFFRACTION 2.889 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	2RS

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4O4G \| pdb_00004o4g	Download File View File

Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ527), a non-nucleoside inhibitor

Mislak, A.C., Frey, K.M.

(2014) Biochim Biophys Acta 1840: 2203-2211

Released	2014-11-05
Method	X-RAY DIFFRACTION 2.712 Å
Organisms	Human immunodeficiency virus type 1 BH10
Macromolecule	HIV-1 reverse transcriptase, p51 subunit (protein) HIV-1 reverse transcriptase, p66 subunit (protein)
Unique Ligands	2RT

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4P7M \| pdb_00004p7m	Download File View File

Crystal structure of Plasmodium falciparum MIF in complex with 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol

Pantouris, G., Lolis, E.

(2014) J Med Chem 57: 8652-8656

Released	2014-10-15
Method	X-RAY DIFFRACTION 3.02 Å
Organisms	Plasmodium falciparum
Macromolecule	Macrophage migration inhibitory factor-like protein (protein)
Unique Ligands	2OE

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4P7S \| pdb_00004p7s	Download File View File

Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine

Pantouris, G., Lolis, E.

(2014) J Med Chem 57: 8652-8656

Released	2014-10-15
Method	X-RAY DIFFRACTION 2.87 Å
Organisms	Plasmodium falciparum
Macromolecule	Macrophage migration inhibitory factor-like protein (protein)
Unique Ligands	2OK

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4Q0D \| pdb_00004q0d	Download File View File

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, methotrexate and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid.

Kumar, V.P., Anderson, K.S.

(2014) Bioorg Med Chem Lett 24: 4158-4161

Released	2014-10-15
Method	X-RAY DIFFRACTION 3.449 Å
Organisms	Cryptosporidium hominis
Macromolecule	Bifunctional dihydrofolate reductase-thymidylate synthase (protein)
Unique Ligands	2XB, MTX, NDP, UFP

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4Q0E \| pdb_00004q0e	Download File View File

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid.

Kumar, V.P., Anderson, K.S.

(2014) Bioorg Med Chem Lett 24: 4158-4161

Released	2014-10-15
Method	X-RAY DIFFRACTION 2.78 Å
Organisms	Cryptosporidium hominis
Macromolecule	Bifunctional dihydrofolate reductase-thymidylate synthase (protein)
Unique Ligands	2XB, NDP, UFP

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Symmetry Type

SCOP Classification

2XEF | pdb_00002xef

2XEG | pdb_00002xeg

2XEI | pdb_00002xei

2XEJ | pdb_00002xej

3DG8 | pdb_00003dg8

3DGA | pdb_00003dga

3JS2 | pdb_00003js2

3ZRC | pdb_00003zrc

3ZRF | pdb_00003zrf

3ZUN | pdb_00003zun

4B95 | pdb_00004b95

4B9K | pdb_00004b9k

4H4M | pdb_00004h4m

4H4O | pdb_00004h4o

4KKO | pdb_00004kko

4KO0 | pdb_00004ko0

4LSL | pdb_00004lsl

4LSN | pdb_00004lsn

4MFB | pdb_00004mfb

4O44 | pdb_00004o44

4O4G | pdb_00004o4g

4P7M | pdb_00004p7m

4P7S | pdb_00004p7s

4Q0D | pdb_00004q0d

4Q0E | pdb_00004q0e