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5V49
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BU of 5v49 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)
Descriptor: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2017-03-08
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5UIH
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BU of 5uih by Molmil
structure of DHFR with bound phenformin and NADP
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dihydrofolate reductase, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
1QAO
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BU of 1qao by Molmil
THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM
Descriptor: ERMC' METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
Authors:Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C.
Deposit date:1999-03-26
Release date:2000-03-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
1LBW
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BU of 1lbw by Molmil
Crystal Structure of apo-form (P32) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus
Descriptor: fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
1KVX
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BU of 1kvx by Molmil
CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT D99A OF BOVINE PANCREATIC PLA2, 1.9 A ORTHORHOMBIC FORM
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1998-04-28
Release date:1998-11-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
1DRE
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BU of 1dre by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-11-28
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
4QH1
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BU of 4qh1 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with bromoacetate
Descriptor: BROMIDE ION, Proton-gated ion channel, SODIUM ION, ...
Authors:Fourati, Z, Delarue, M, Sauguet, L.
Deposit date:2014-05-26
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC
Acta Crystallogr.,Sect.D, 2015
1LBX
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BU of 1lbx by Molmil
Crystal Structure of a ternary complex of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with Calcium ions and D-myo-Inositol-1-Phosphate
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
1EL7
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BU of 1el7 by Molmil
COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYTELLURO]ACETATE
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S.
Deposit date:2000-03-13
Release date:2000-12-06
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants.
Biochemistry, 39, 2000
1LM3
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BU of 1lm3 by Molmil
A Multi-generation Analysis of Cytochrome b562 Redox Variants: Evolutionary Strategies for Modulating Redox Potential Revealed Using a Library Approach
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SOLUBLE CYTOCHROME B562
Authors:Springs, S.L, Bass, S.E, Bowman, G, Nodelman, I, Schutt, C.E, McLendon, G.L.
Deposit date:2002-04-30
Release date:2002-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multigeneration analysis of cytochrome b(562) redox variants: evolutionary strategies for modulating redox potential revealed using a library approach.
Biochemistry, 41, 2002
2DGJ
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BU of 2dgj by Molmil
Crystal structure of EbhA (756-1003 domain) from Staphylococcus aureus
Descriptor: ACETIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Tanaka, Y, Yao, M, Kuroda, M, Watanabe, N, Ohta, T, Tanaka, I.
Deposit date:2006-03-14
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A helical string of alternately connected three-helix bundles for the cell wall-associated adhesion protein Ebh from Staphylococcus aureus
Structure, 16, 2008
4LWU
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BU of 4lwu by Molmil
The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252
Descriptor: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
2ZBG
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BU of 2zbg by Molmil
Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium
Descriptor: MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Toyoshima, C, Ogawa, H, Norimatsu, Y.
Deposit date:2007-10-20
Release date:2007-12-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
1YPU
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BU of 1ypu by Molmil
Human Oxidized Low Density Lipoprotein Receptor LOX-1 C2 Space Group
Descriptor: oxidised low density lipoprotein (lectin-like) receptor 1
Authors:Park, H, Adsit, F.G, Boyington, J.C.
Deposit date:2005-01-31
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The 1.4 angstrom crystal structure of the human oxidized low density lipoprotein receptor lox-1.
J.Biol.Chem., 280, 2005
1YPO
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BU of 1ypo by Molmil
Human Oxidized Low Density Lipoprotein Receptor LOX-1 P3 1 21 Space Group
Descriptor: oxidised low density lipoprotein (lectin-like) receptor 1
Authors:Park, H, Adsit, F.G, Boyington, J.C.
Deposit date:2005-01-31
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The 1.4 angstrom crystal structure of the human oxidized low density lipoprotein receptor lox-1.
J.Biol.Chem., 280, 2005
1QF5
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BU of 1qf5 by Molmil
DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE
Descriptor: (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Prade, L, Gohda, K, Cowan-Jacob, S.W, Fonne-Pfister, R.
Deposit date:1999-04-06
Release date:1999-12-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase
Angew.Chem.Int.Ed.Engl., 38, 1999
1YSO
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BU of 1yso by Molmil
YEAST CU, ZN SUPEROXIDE DISMUTASE WITH THE REDUCED BRIDGE BROKEN
Descriptor: COPPER (I) ION, YEAST CU, ZN SUPEROXIDE DISMUTASE, ...
Authors:Parge, H.E, Crane, B.R, Tsang, J, Tainer, J.A.
Deposit date:1995-12-21
Release date:1996-06-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase.
Biochemistry, 35, 1996
3OKE
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BU of 3oke by Molmil
Crystal structure of S25-39 in complex with Ko
Descriptor: S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ZINC ION, ...
Authors:Blackler, R.J, Evans, S.V.
Deposit date:2010-08-24
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
4Q2X
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BU of 4q2x by Molmil
Crystal structure of Arginyl-tRNA synthetase complexed with L-canavanine
Descriptor: Arginine--tRNA ligase, cytoplasmic, L-CANAVANINE
Authors:Kim, H.S, Jo, C.H, Cha, S.Y, Han, A.R, Hwang, K.Y.
Deposit date:2014-04-10
Release date:2014-07-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:The crystal structure of arginyl-tRNA synthetase from Homo sapiens
Febs Lett., 588, 2014
3QI6
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BU of 3qi6 by Molmil
Crystal Structure of Cystathionine gamma-synthase MetB (Cgs) from Mycobacterium ulcerans Agy99
Descriptor: 1,2-ETHANEDIOL, Cystathionine gamma-synthase MetB (Cgs), GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-26
Release date:2011-03-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of the cystathionine [gamma]-synthase MetB from Mycobacterium ulcerans
Acta Crystallogr.,Sect.F, 67, 2011
1GX2
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BU of 1gx2 by Molmil
Recombinant horseradish peroxidase Phe209Ser complex with benzhydroxamic acid
Descriptor: BENZHYDROXAMIC ACID, CALCIUM ION, PEROXIDASE C1A, ...
Authors:Meno, K, Gajhede, M, Henriksen, A.
Deposit date:2002-03-26
Release date:2003-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hrpc Heme Crevice Architecture
To be Published
3SDP
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BU of 3sdp by Molmil
THE 2.1 ANGSTROMS RESOLUTION STRUCTURE OF IRON SUPEROXIDE DISMUTASE FROM PSEUDOMONAS OVALIS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1991-05-06
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1-A resolution structure of iron superoxide dismutase from Pseudomonas ovalis.
Biochemistry, 29, 1990
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
Descriptor: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3D84
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BU of 3d84 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
Descriptor: Dihydrofolate reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2008-05-22
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
5EXL
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BU of 5exl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
Descriptor: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016

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