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1GHY
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GE4
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CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT LEFT-HANDED HELICAL POSITIONS
分子名称: LYSOZYME C, SODIUM ION
著者Takano, K, Yamagata, Y, Yutani, K.
登録日2000-10-06
公開日2000-11-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of non-glycine residues in left-handed helical conformation for the conformational stability of human lysozyme
Proteins, 44, 2001
1XKN
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Crystal Structure of the Putative Peptidyl-arginine Deiminase from Chlorobium tepidum, NESG Target CtR21
分子名称: CHLORIDE ION, SODIUM ION, putative peptidyl-arginine deiminase
著者Forouhar, F, Befeler, A.R, Vorobiev, S.M, Hussain, M, Ciano, M, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-09-29
公開日2004-11-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Putative Peptidyl-arginine Deiminase from Chlorobium tepidum, NESG Target CtR21
To be Published
1GFG
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CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
分子名称: LYSOZYME, SODIUM ION
著者Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
登録日2000-12-04
公開日2000-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Positive contribution of hydration structure on the surface of human lysozyme to the conformational stability.
J.Biol.Chem., 277, 2002
1GFR
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CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
分子名称: LYSOZYME, SODIUM ION
著者Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
登録日2000-12-04
公開日2000-12-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Positive contribution of hydration structure on the surface of human lysozyme to the conformational stability.
J.Biol.Chem., 277, 2002
1GHW
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site
J.Mol.Biol., 307, 2001
7XKA
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Structure of human beta2 adrenergic receptor bound to constrained epinephrine
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ...
著者Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P.
登録日2022-04-19
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
1GN0
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Escherichia coli GlpE sulfurtransferase soaked with KCN
分子名称: 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE
著者Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D.
登録日2001-10-01
公開日2001-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
1GJ5
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SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
分子名称: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
7LK8
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Crystal structure of KPC-2 T215P mutant
分子名称: Beta-lactamase, SODIUM ION
著者Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V.
登録日2021-02-01
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase.
J.Biol.Chem., 296, 2021
1D3Y
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STRUCTURE OF THE DNA TOPOISOMERASE VI A SUBUNIT
分子名称: DNA TOPOISOMERASE VI A SUBUNIT, MAGNESIUM ION, SODIUM ION
著者Nichols, M.D, DeAngelis, K.A, Keck, J.L, Berger, J.M.
登録日1999-10-01
公開日1999-11-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and function of an archaeal topoisomerase VI subunit with homology to the meiotic recombination factor Spo11.
EMBO J., 18, 1999
1GLH
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CATION BINDING TO A BACILLUS (1,3-1,4)-BETA-GLUCANASE. GEOMETRY, AFFINITY AND EFFECT ON PROTEIN STABILITY
分子名称: 1,3-1,4-BETA-GLUCANASE, SODIUM ION
著者Keitel, T, Heinemann, U.
登録日1994-11-25
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cation binding to a Bacillus (1,3-1,4)-beta-glucanase. Geometry, affinity and effect on protein stability
Eur.J.Biochem., 222, 1994
7MFP
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BU of 7mfp by Molmil
crystal structure of the L136 aminotransferase K185A from acanthamoeba polyphaga mimivirus in the presence of the UDP-viosamine external aldimine
分子名称: (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Seltzner, C.A, Thoden, J.B, Holden, H.M.
登録日2021-04-10
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
7MFQ
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crystal structure of the L136 aminotransferase from acanthamoeba polyphaga mimivirus in complex with the TDP-viosamine external aldimine
分子名称: (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Seltzner, C.A, Thoden, J.B, Holden, H.M.
登録日2021-04-10
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
1GNY
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xylan-binding module CBM15
分子名称: SODIUM ION, XYLANASE 10C, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Szabo, S, Jamal, S, Xie, H, Charnock, S.J, Bolam, D.N, Gilbert, H.J, Davies, G.J.
登録日2001-10-10
公開日2001-11-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure of a Family 15 Carbohydrate-Binding Module in Complex with Xylopentaose: Evidence that Xylan Binds in an Approximate Three-Fold Helical Conformation
J.Biol.Chem., 276, 2001
7ML9
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The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ...
著者Rydel, T.J, Zheng, M, Evdokimov, A.
登録日2021-04-27
公開日2021-05-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
7M3Q
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Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
著者Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S.
登録日2021-03-18
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
1ZL0
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Structure of Protein of Unknown Function PA5198 from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Osipiuk, J, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-05-04
公開日2005-06-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-ray crystal structure of hypothetical protein PA5198 at 1.1 A resolution.
To be Published
7V9E
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Crystal structure of a methyl transferase ribozyme
分子名称: BARIUM ION, GUANINE, RNA (68-MER), ...
著者Deng, J, Lilley, D.M.J, Huang, L.
登録日2021-08-25
公開日2022-03-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of a methyltransferase ribozyme.
Nat.Chem.Biol., 18, 2022
1ZOH
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Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE, CHLORIDE ION, ...
著者Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A.
登録日2005-05-13
公開日2005-11-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
1YVM
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E. coli Methionine Aminopeptidase in complex with thiabendazole
分子名称: 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE, COBALT (II) ION, Methionine aminopeptidase, ...
著者Schiffmann, R, Heine, A, Klebe, G, Klein, C.D.
登録日2005-02-16
公開日2005-06-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal Ions as Cofactors for the Binding of Inhibitors to Methionine Aminopeptidase: A Critical View of the Relevance of In Vitro Metalloenzyme Assays.
Angew.Chem.Int.Ed.Engl., 44, 2005
7VUK
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BU of 7vuk by Molmil
Crystal Structure of the core region of Thermus thermophilus MutS2 complexed with ADP.
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Fukui, K, Yano, T.
登録日2021-11-02
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structural and functional insights into the mechanism by which MutS2 recognizes a DNA junction.
Structure, 30, 2022
3SAN
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Crystal structure of influenza A virus neuraminidase N5 complexed with Zanamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wang, M.Y, Qi, J.X, Liu, Y, Vavricka, C.J, Wu, Y, Li, Q, Gao, G.F.
登録日2011-06-03
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Influenza a virus n5 neuraminidase has an extended 150-cavity
J.Virol., 85, 2011
1Y3B
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Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60S mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-24
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
1Y48
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Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R65A mutant
分子名称: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
著者Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
登録日2004-11-30
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005

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