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1O9W
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F17-aG lectin domain from Escherichia coli in complex with N-acetyl-glucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G FIMBRIAL ADHESIN
Authors:Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H.
Deposit date:2002-12-20
Release date:2003-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine
Mol.Microbiol., 49, 2003
3VQV
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Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with AMPPNP (re-refined)
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
Authors:Yanagisawa, T, Sumida, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2012-04-01
Release date:2013-01-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel crystal form of pyrrolysyl-tRNA synthetase reveals the pre- and post-aminoacyl-tRNA synthesis conformational states of the adenylate and aminoacyl moieties and an asparagine residue in the catalytic site
Acta Crystallogr.,Sect.D, 69, 2013
3UAL
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BU of 3ual by Molmil
Crystal Structure of 14-3-3 epsilon with Mlf1 peptide
Descriptor: 14-3-3 protein epsilon, Myeloid leukemia factor 1, TERTIARY-BUTYL ALCOHOL
Authors:Weyand, M, Ottmann, C.
Deposit date:2011-10-21
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights of the MLF1/14-3-3 interaction.
Febs J., 279, 2012
8P64
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Co-crystal structure of PD-L1 with low molecular weight inhibitor
Descriptor: Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
Authors:Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
Deposit date:2023-05-25
Release date:2024-03-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.312 Å)
Cite:1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
1GGK
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BU of 1ggk by Molmil
CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, ASN201HIS VARIANT.
Descriptor: CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C.
Deposit date:2000-08-21
Release date:2000-08-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
5OSK
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BU of 5osk by Molmil
Tubulin-7j complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ...
Authors:Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L.
Deposit date:2017-08-17
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
J. Med. Chem., 61, 2018
4ZEC
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BU of 4zec by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocin 84
Descriptor: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
4BW9
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PylRS Y306G, Y384F, I405R mutant in complex with AMP-PNP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T.
Deposit date:2013-07-01
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins
Chem.Bio.Chem., 14, 2013
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5GSS
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BU of 5gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
2GQ1
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BU of 2gq1 by Molmil
Crystal Structure of Recombinant Type I Fructose-1,6-bisphosphatase from Escherichia coli Complexed with Sulfate Ions
Descriptor: Fructose-1,6-bisphosphatase, SULFATE ION
Authors:Hines, J.K, Fromm, H.J, Honzatko, R.B.
Deposit date:2006-04-19
Release date:2006-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Allosteric Activation Site in Escherichia coli Fructose-1,6-bisphosphatase.
J.Biol.Chem., 281, 2006
2GVU
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BU of 2gvu by Molmil
Crystal structure of diisopropyl fluorophosphatase (DFPase), mutant D229N / N120D
Descriptor: CALCIUM ION, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
1EBT
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BU of 1ebt by Molmil
HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA BOUND WITH CYANIDE
Descriptor: CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Rosano, C, Bolognesi, M, Ascenzi, P.
Deposit date:1998-11-04
Release date:2000-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study.
Biophys.J., 77, 1999
2GVV
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BU of 2gvv by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) in complex with dicyclopentylphosphoroamidate (DcPPA)
Descriptor: CALCIUM ION, DICYCLOPENTYL PHOSPHORAMIDATE, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
2Y98
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BU of 2y98 by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group
Descriptor: CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-02-12
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
7VPZ
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BU of 7vpz by Molmil
Cryo-EM structure of Streptomyces coelicolor transcription initial complex with one Zur dimer
Descriptor: DNA (84-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Yang, X, Zheng, J.
Deposit date:2021-10-18
Release date:2022-08-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Structural basis of Streptomyces transcription activation by zinc uptake regulator.
Nucleic Acids Res., 50, 2022
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
1SE6
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BU of 1se6 by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ...
Authors:Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
Deposit date:2004-02-16
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1MMA
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BU of 1mma by Molmil
X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN
Authors:Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
Deposit date:1997-07-18
Release date:1997-12-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
2GVW
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BU of 2gvw by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) holoenzyme (RT)
Descriptor: CALCIUM ION, Phosphotriesterase
Authors:Chen, J.C.H, Blum, M.M.
Deposit date:2006-05-03
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
1SMI
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BU of 1smi by Molmil
A single mutation of P450 BM3 induces the conformational rearrangement seen upon substrate-binding in wild-type enzyme
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Joyce, M.G, Girvan, H.M, Munro, A.W, Leys, D.
Deposit date:2004-03-09
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Single Mutation in Cytochrome P450 BM3 Induces the Conformational Rearrangement Seen upon Substrate Binding in the Wild-type Enzyme
J.Biol.Chem., 279, 2004
1EH4
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BU of 1eh4 by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261
Descriptor: 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CASEIN KINASE-1, SULFATE ION
Authors:Mashhoon, N, Demaggio, A.J, Tereshko, V, Bergmeier, S.C, Egli, M, Hoekstra, M.F, Kuret, J.
Deposit date:2000-02-18
Release date:2001-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Conformation-Selective Casein Kinase-1 Inhibitor
J.Biol.Chem., 275, 2000
3KOH
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BU of 3koh by Molmil
Cytochrome P450 2E1 with omega-imidazolyl octanoic acid
Descriptor: 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2009-11-13
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010

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