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PDB: 1609 件
1CVB
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STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1993-02-04
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional importance of a conserved hydrogen bond network in human carbonic anhydrase II.
J.Biol.Chem., 268, 1993
4CXW
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Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
分子名称: (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CMP
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Crystal structure of S. pyogenes Cas9
分子名称: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION
著者Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A.
登録日2014-01-16
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation.
Science, 343, 2014
1CPS
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STRUCTURAL COMPARISON OF SULFODIIMINE AND SULFONAMIDE INHIBITORS IN THEIR COMPLEXES WITH ZINC ENZYMES
分子名称: CARBOXYPEPTIDASE A, S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-S-METHANE, ZINC ION
著者Cappalonga, A.M, Alexander, R.S, Christianson, D.W.
登録日1992-02-18
公開日1993-10-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural comparison of sulfodiimine and sulfonamide inhibitors in their complexes with zinc enzymes.
J.Biol.Chem., 267, 1992
1CNI
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X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1995-04-03
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Crystallographic Studies of Engineered Hydrogen Bond Networks in a Protein-Zinc Binding Site
J.Am.Chem.Soc., 117, 1995
1D7O
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CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
分子名称: ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W.
登録日1999-10-19
公開日1999-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
1UGD
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HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
3ZKS
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BACE2 XAPERONE COMPLEX WITH INHIBITOR
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, XA4813
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
8UMF
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Structure of PsCas9 in complex with gRNA and DNA in product state
分子名称: Cas9, DNA (80-MER), MAGNESIUM ION, ...
著者Bravo, J.P.K, Taylor, D.W.
登録日2023-10-17
公開日2024-10-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure-guided engineering of PsCas9 yields a high fidelity and activity enzyme for in vivo gene editing
To Be Published
1D8A
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E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX
分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B.
登録日1999-10-21
公開日1999-10-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of triclosan activity.
Nature, 398, 1999
1CF8
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Convergence of catalytic antibody and terpene cyclase mechanisms: polyene cyclization directed by carbocation-pi interactions
分子名称: 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID, CADMIUM ION, PROTEIN (CATALYTIC ANTIBODY 19A4 (HEAVY CHAIN)), ...
著者Paschall, C.M, Hasserodt, J, Jones, T, Lerner, R.A, Janda, K.D, Christianson, D.W.
登録日1999-03-24
公開日1999-07-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed by Carbocation-pi Interactions
Angew.Chem.Int.Ed.Engl., 38, 1999
1UGH
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CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE IN COMPLEX WITH A PROTEIN INHIBITOR: PROTEIN MIMICRY OF DNA
分子名称: PROTEIN (URACIL-DNA GLYCOSYLASE INHIBITOR), PROTEIN (URACIL-DNA GLYCOSYLASE)
著者Mol, C.D, Arvai, A.S, Sanderson, R.J, Slupphaug, G, Kavli, B, Krokan, H.E, Mosbaugh, D.W, Tainer, J.A.
登録日1999-02-05
公開日1999-02-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human uracil-DNA glycosylase in complex with a protein inhibitor: protein mimicry of DNA.
Cell(Cambridge,Mass.), 82, 1995
4E1Z
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Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
分子名称: N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2012-03-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
3ZKN
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BACE2 FAB INHIBITOR COMPLEX
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
1GTM
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STRUCTURE OF GLUTAMATE DEHYDROGENASE
分子名称: GLUTAMATE DEHYDROGENASE, SULFATE ION
著者Yip, K.S.P, Stillman, T.J, Britton, K.L, Pasquo, A, Rice, D.W.
登録日1996-08-22
公開日1997-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures.
Structure, 3, 1995
1UGB
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HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY GLY (A65G)
分子名称: AZIDE ION, CARBONIC ANHYDRASE II, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
3ZMG
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
分子名称: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M.
登録日2013-02-08
公開日2013-05-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
1U0M
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Crystal Structure of 1,3,6,8-Tetrahydroxynaphthalene Synthase (THNS) from Streptomyces coelicolor A3(2): a Bacterial Type III Polyketide Synthase (PKS) Provides Insights into Enzymatic Control of Reactive Polyketide Intermediates
分子名称: GLYCEROL, POLYETHYLENE GLYCOL (N=34), putative polyketide synthase
著者Austin, M.B, Izumikawa, M, Bowman, M.E, Udwary, D.W, Ferrer, J.L, Moore, B.S, Noel, J.P.
登録日2004-07-13
公開日2004-09-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of a bacterial type III polyketide synthase and enzymatic control of reactive polyketide intermediates
J.Biol.Chem., 279, 2004
4A1V
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Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E
分子名称: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-20
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4AOQ
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Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A)
分子名称: CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ...
著者Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
登録日2012-03-29
公開日2013-01-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4AIH
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Crystal structure of RovA from Yersinia in its free form
分子名称: TRANSCRIPTIONAL REGULATOR SLYA
著者Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P.
登録日2012-02-09
公開日2012-09-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia.
J.Biol.Chem., 287, 2012
4A0S
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STRUCTURE OF THE 2-OCTENOYL-COA CARBOXYLASE REDUCTASE CINF IN COMPLEX WITH NADP AND 2-OCTENOYL-COA
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OCTANOYL-COENZYME A, OCTENOYL-COA REDUCTASE/CARBOXYLASE
著者Quade, N, Huo, L, Rachid, S, Heinz, D.W, Muller, R.
登録日2011-09-12
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual carbon fixation gives rise to diverse polyketide extender units.
Nat. Chem. Biol., 8, 2011
4AIK
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Crystal structure of RovA from Yersinia in complex with an invasin promoter fragment
分子名称: ROVA PROMOTER FRAGMENT, 5'-D(*AP*TP*GP*AP*TP*AP*TP*TP *AP*TP**TP*TP*AP*TP*AP*TP*GP*AP*TP*AP*A)-3', 5'-D(*TP*TP*TP*AP*TP*CP*AP*TP *AP*TP*AP*AP*AP*TP*AP*AP*TP*AP*TP*CP*A)-3', ...
著者Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P.
登録日2012-02-10
公開日2012-09-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia.
J.Biol.Chem., 287, 2012
4AOR
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Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
登録日2012-03-29
公開日2013-01-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4BFD
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
分子名称: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide, ...
著者Banner, D.W, Benz, J, Stihle, M.
登録日2013-03-18
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013

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