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2FYP
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GRP94 in complex with the novel HSP90 Inhibitor Radester amine
分子名称: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-08
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibittory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
6D51
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BU of 6d51 by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct
分子名称: ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3
著者Libreros, G.A, Dias, M.V.B.
登録日2018-04-19
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
6DA6
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BU of 6da6 by Molmil
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes, apo form at 2.6 A resolution (P212121)
分子名称: GLYCEROL, MAGNESIUM ION, UNKNOWN LIGAND, ...
著者Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-05-01
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
7Y37
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BU of 7y37 by Molmil
Structure of a triple-helix region of human collagen type V
分子名称: A triple-helix region of human collagen type V
著者Zhu, Y, Yang, X, Sun, F.
登録日2022-06-10
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of a triple-helix region of human collagen type V
To Be Published
6DO4
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BU of 6do4 by Molmil
KLHDC2 ubiquitin ligase in complex with SelS C-end degron
分子名称: Kelch domain-containing protein 2, SELS C-END DEGRON
著者Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
登録日2018-06-08
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
6DA7
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BU of 6da7 by Molmil
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with apo form at 1.83 A resolution (I222)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SODIUM ION, ...
著者Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-05-01
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
6DCD
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BU of 6dcd by Molmil
Mycobacterium marinum cytochrome P450 CYP150A6 in the substrate-free form
分子名称: Cytochrome P450 150A6 Cyp150A6, PROTOPORPHYRIN IX CONTAINING FE
著者Child, S.A, Bruning, J.B, Bell, S.G.
登録日2018-05-05
公開日2019-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The characterisation of two members of the cytochrome P450 CYP150 family: CYP150A5 and CYP150A6 from Mycobacterium marinum.
Biochim Biophys Acta Gen Subj, 1863, 2019
6DHT
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BU of 6dht by Molmil
Bacteroides ovatus GH9 Bacova_02649
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Koropatkin, N.M, Foley, M.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Cell-Surface GH9 Endo-Glucanase Coordinates with Surface Glycan-Binding Proteins to Mediate Xyloglucan Uptake in the Gut Symbiont Bacteroides ovatus.
J. Mol. Biol., 431, 2019
5JZY
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BU of 5jzy by Molmil
Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-05-17
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
5JYU
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BU of 5jyu by Molmil
NMR structure of pseudo receiver domain of CikA from Thermosynechococcus elongatus
分子名称: Two-component sensor histidine kinase
著者Tseng, R.D, LiWang, A.L.
登録日2016-05-15
公開日2017-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
6DI8
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BU of 6di8 by Molmil
Crystal structure of bovine alpha-chymotrypsin in space group P65
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Marshall, A.C, Keiller, B.G, Bruning, J.B.
登録日2018-05-23
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Crystal Structure of Bovine Alpha-Chymotrypsin in Space Group P65
Crystals, 8, 2018
7Y4K
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BU of 7y4k by Molmil
Crystal structure of Ricin A chain bound with N2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)glycyl-L-phenylalanyl-N6-((benzyloxy)carbonyl)-L-ornitine
分子名称: (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid, Ricin A chain, SULFATE ION
著者Katakura, S, Goto, M, Ohba, T, Kawata, R, Nagatsu, K, Higashi, S, Matsumoto, K, Kurisu, K, Ohtsuka, K, Saito, R.
登録日2022-06-15
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pterin-based small molecule inhibitor capable of binding to the secondary pocket in the active site of ricin-toxin A chain.
Plos One, 17, 2022
7Y4M
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BU of 7y4m by Molmil
Crystal structure of Ricin A chain bound with N2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)glycyl-L-phenylalanyl-N6-((benzyloxy)carbonyl)-L-lysine
分子名称: (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid, Ricin A chain, SULFATE ION
著者Katakura, S, Goto, M, Ohba, T, Kawata, R, Nagatsu, K, Higashi, S, Matsumoto, K, Kurisu, K, Ohtsuka, K, Saito, R.
登録日2022-06-15
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Pterin-based small molecule inhibitor capable of binding to the secondary pocket in the active site of ricin-toxin A chain.
Plos One, 17, 2022
6D40
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BU of 6d40 by Molmil
Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma
分子名称: Plasminogen, SULFATE ION, Trypsin inhibitor 1
著者Law, R.H.P, Wu, G.
登録日2018-04-17
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
7XZS
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BU of 7xzs by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-tyrosine
分子名称: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7XZT
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BU of 7xzt by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
分子名称: (2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7XZW
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BU of 7xzw by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-phenylalanine
分子名称: (2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
6DG4
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BU of 6dg4 by Molmil
Structure of the Chaetomium thermophilum Ulp1-like SUMO protease catalytic domain
分子名称: GLYCEROL, SULFATE ION, Ulp1-like SUMO protease
著者Lima, C.D, Baytshtok, V.
登録日2018-05-16
公開日2018-07-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery and engineering of enhanced SUMO protease enzymes.
J. Biol. Chem., 293, 2018
6D69
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Crystal Structure of the NHL Repeat Region of D. melanogaster Thin
分子名称: GLYCEROL, NHL Repeat Region of D. melanogaster Thin
著者Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V.
登録日2018-04-20
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献DrosophilaTRIM32 cooperates with glycolytic enzymes to promote cell growth.
Elife, 9, 2020
7XZU
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BU of 7xzu by Molmil
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-phenylalanine
分子名称: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
6DGC
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BU of 6dgc by Molmil
Crystal structure of the C-terminal catalytic domain of ISC1926 TnpA, an IS607-like serine recombinase
分子名称: ISC1926 TnpA C-terminal catalytic domain
著者Hancock, S.P, Kumar, P, Cascio, D, Johnson, R.C.
登録日2018-05-17
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Multiple serine transposase dimers assemble the transposon-end synaptic complex during IS607-family transposition.
Elife, 7, 2018
6DGK
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Crystal Structure of the Non-Structural Protein 1 (NS1) effector domain W187A mutant from the A/Brevig Mission/1/1918 (H1N1) strain of Influenza A Virus
分子名称: Non-structural protein 1
著者Kleinpeter, A.B, Green, T.J, Petit, C.M.
登録日2018-05-17
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analyses reveal the mechanism of inhibition of influenza virus NS1 by two antiviral compounds.
J. Biol. Chem., 293, 2018
7Y02
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BU of 7y02 by Molmil
Crystal structure of Ricin A chain bound with (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-(4-fluorophenyl)propanoic acid
分子名称: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y05
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BU of 7y05 by Molmil
Crystal structure of Ricin A chain bound with (R)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
分子名称: (2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022
7Y06
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Crystal structure of Ricin A chain bound with (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-4-phenylbutanoic acid
分子名称: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid, Ricin A chain, SULFATE ION
著者Goto, M, Higashi, S, Ohba, T, Kawata, R, Nagatsu, K, Suzuki, S, Saito, R.
登録日2022-06-03
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
Biochem.Biophys.Res.Commun., 627, 2022

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