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4C1F
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BU of 4c1f by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril
分子名称: BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
1EXG
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BU of 1exg by Molmil
SOLUTION STRUCTURE OF A CELLULOSE BINDING DOMAIN FROM CELLULOMONAS FIMI BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: EXO-1,4-BETA-D-GLYCANASE
著者Xu, G.-Y, Ong, E, Gilkes, N.R, Kilburn, D.G, Muhandiram, D.R, Harris-Brandts, M, Carver, J.P, Kay, L.E, Harvey, T.S.
登録日1995-03-14
公開日1995-06-03
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Solution structure of a cellulose-binding domain from Cellulomonas fimi by nuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
1EEF
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BU of 1eef by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG
分子名称: 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日2000-01-31
公開日2000-02-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1A4W
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BU of 1a4w by Molmil
CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
著者Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A.
登録日1998-02-06
公開日1998-04-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
5IMN
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BU of 5imn by Molmil
Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5TBM
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BU of 5tbm by Molmil
Crystal structure of PT2385 bound to HIF2a-B*:ARNT-B* complex
分子名称: 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Du, X.
登録日2016-09-12
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Small-Molecule Antagonist of HIF2 alpha Is Efficacious in Preclinical Models of Renal Cell Carcinoma.
Cancer Res., 76, 2016
4KIQ
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BU of 4kiq by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
分子名称: Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4MLJ
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BU of 4mlj by Molmil
dihydrodipicolinate synthase from C. jejuni, Y110F mutation with pyruvate bound to the active site
分子名称: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
著者Conly, C.J.T.
登録日2013-09-06
公開日2015-01-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyrosine 110 Plays a Critical Role in Regulating the Allosteric Inhibition of Campylobacter jejuni Dihydrodipicolinate Synthase by Lysine.
Biochemistry, 53, 2014
1LXY
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BU of 1lxy by Molmil
Crystal Structure of Arginine Deiminase covalently linked with L-citrulline
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine Deiminase, CITRULLINE
著者Das, K, Buttler, G.H, Kwiatkowski, V, Yadav, P, Arnold, E.
登録日2002-06-06
公開日2004-01-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism
Structure, 12, 2004
4YH5
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BU of 4yh5 by Molmil
Lipomyces starkeyi levoglucosan kinase bound to ADP and Manganese
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, ...
著者Bacik, J.P.
登録日2015-02-26
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION.
J.Biol.Chem., 290, 2015
1WL4
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BU of 1wl4 by Molmil
Human cytosolic acetoacetyl-CoA thiolase complexed with CoA
分子名称: COENZYME A, GLYCEROL, SULFATE ION, ...
著者Kursula, P, Fukao, T, Kondo, N, Wierenga, R.K.
登録日2004-06-20
公開日2005-03-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献High Resolution Crystal Structures of Human Cytosolic Thiolase (CT): A Comparison of the Active Sites of Human CT, Bacterial Thiolase, and Bacterial KAS I
J.Mol.Biol., 347, 2005
3GO0
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BU of 3go0 by Molmil
Crystal structure of D-enantiomer of human alpha-defensin 1 (D-HNP1)
分子名称: CHLORIDE ION, Neutrophil defensin 1
著者Pazgier, M, Lu, W.-Y.
登録日2009-03-18
公開日2009-07-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Through the looking glass, mechanistic insights from enantiomeric human defensins.
J.Biol.Chem., 284, 2009
4CC5
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BU of 4cc5 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
分子名称: 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, DNA LIGASE, SULFATE ION
著者Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
登録日2013-10-18
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
1A46
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BU of 1a46 by Molmil
THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR
分子名称: (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
登録日1998-02-11
公開日1998-05-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
3BDU
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BU of 3bdu by Molmil
Crystal structure of protein Q6D8G1 at the resolution 1.9 A. Northeast Structural Genomics Consortium target EwR22A.
分子名称: Putative lipoprotein
著者Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Fang, Y, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-15
公開日2007-11-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of protein Q6D8G1 at the resolution 1.9 A.
To be Published
3ZDV
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BU of 3zdv by Molmil
Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside
分子名称: 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ...
著者Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A.
登録日2012-11-30
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes.
Acs Chem.Biol., 8, 2013
4C00
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BU of 4c00 by Molmil
Crystal structure of TamA from E. coli
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CHLORIDE ION, ...
著者Gruss, F, Zaehringer, F, Jakob, R.P, Burmann, B.M, Hiller, S, Maier, T.
登録日2013-07-30
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Structural Basis of Autotransporter Translocation by Tama
Nat.Struct.Mol.Biol., 20, 2013
4OE7
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BU of 4oe7 by Molmil
Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
分子名称: (4R)-4-hydroxy-2,5-dioxopentanoic acid, (4S)-4-hydroxy-2,5-dioxopentanoic acid, 1,2-ETHANEDIOL, ...
著者Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S.
登録日2014-01-12
公開日2014-12-24
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
To be Published
3QGU
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BU of 3qgu by Molmil
L,L-Diaminopimelate aminotransferase from Chlamydomonas reinhardtii
分子名称: AZIDE ION, GLYCEROL, LL-diaminopimelate aminotransferase, ...
著者Dobson, R.C.J, Giron, I, Hudson, A.O.
登録日2011-01-25
公開日2011-06-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献L,L-Diaminopimelate Aminotransferase from Chlamydomonas reinhardtii: A Target for Algaecide Development
Plos One, 6, 2011
2VYI
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BU of 2vyi by Molmil
Crystal Structure of the TPR domain of Human SGT
分子名称: SGTA PROTEIN
著者Dutta, S, Tan, Y.J.
登録日2008-07-24
公開日2008-08-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Characterization of Human Sgt and its Interaction with Vpu of the Human Immunodeficiency Virus Type 1.
Biochemistry, 47, 2008
2PYL
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BU of 2pyl by Molmil
Phi29 DNA polymerase complexed with primer-template DNA and incoming nucleotide substrates (ternary complex)
分子名称: 1,2-ETHANEDIOL, 5'-d(CTGACGAATGTACA)-3', 5'-d(GACTGCTTAC(2DA))-3', ...
著者Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
登録日2007-05-16
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases
Embo J., 26, 2007
4C6A
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BU of 4c6a by Molmil
High Resolution Structure of the Nucleoside diphosphate kinase
分子名称: DI(HYDROXYETHYL)ETHER, NUCLEOSIDE DIPHOSPHATE KINASE, CYTOSOLIC
著者Priet, S, Ferron, F, Alvarez, K, Verron, M, Canard, B.
登録日2013-09-18
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Enzymatic Synthesis of Acyclic Nucleoside Thiophosphonate Diphosphates: Effect of the Alpha-Phosphorus Configuration on HIV-1 RT Activity.
Antiviral Res., 117, 2015
4KQD
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BU of 4kqd by Molmil
The crystal Structure of the N-terminal PAS domain of the F plasmid TraJ
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DITHIANE DIOL, GLYCEROL, ...
著者Lu, J, Glover, J.N.M.
登録日2013-05-14
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The crystal Structure of the N-terminal PAS domain of the F plasmid TraJ
To be Published
4C70
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Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ...
著者Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
登録日2013-09-19
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
3AMH
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BU of 3amh by Molmil
crystal structure of cellulase 12A from Thermotoga maritima
分子名称: Endo-1,4-beta-glucanase
著者Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T.
登録日2010-08-20
公開日2011-03-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011

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