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7S7G
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BU of 7s7g by Molmil
Crystal Structure Analysis of Human VLCAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Very long-chain specific acyl-CoA dehydrogenase, mitochondrial
著者Seo, H.-S, Dhe-Paganon, S.
登録日2021-09-15
公開日2022-09-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural basis for defective membrane targeting of mutant enzyme in human VLCAD deficiency.
Nat Commun, 13, 2022
4Z9O
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BU of 4z9o by Molmil
Crystal Structure of human GGT1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Terzyan, S.S, Hanigan, M.H.
登録日2015-04-10
公開日2015-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
4ZBK
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Crystal Structure of human GGT1 in complex with GGsTop inhibitor
分子名称: (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Terzyan, S, Hanigan, M.
登録日2015-04-14
公開日2015-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
6CW7
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BU of 6cw7 by Molmil
E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-03-30
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CNH
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BU of 6cnh by Molmil
Human PRPF4B in complex with Rebastinib
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Godoi, P.H.C, Santiago, A.S, Ramos, P.Z, Fala, A.M, Salmazo, A.P.T, Counago, R.M, Righetto, G.L, Silva, P.N.B, Gileadi, O, Guimaraes, C.R.W, Massirer, K.B, Arruda, P, Elkins, J.M, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2018-03-08
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human PRPF4B in complex with Rebastinib
To be Published
6CNM
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BU of 6cnm by Molmil
Cryo-EM structure of the human SK4/calmodulin channel complex
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calmodulin-1, DODECYL-BETA-D-MALTOSIDE, ...
著者Lee, C.H, MacKinnon, R.
登録日2018-03-08
公開日2018-05-02
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures.
Science, 360, 2018
6TX7
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BU of 6tx7 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
4Q49
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BU of 4q49 by Molmil
Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z, McKenna, R.
登録日2014-04-14
公開日2015-02-25
最終更新日2023-09-20
実験手法NEUTRON DIFFRACTION (1.8 Å)
主引用文献Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
6CQH
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BU of 6cqh by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
著者dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2018-03-15
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
To Be Published
6CR6
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BU of 6cr6 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH-CH3, beta, gamma dATP analogue
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine, DNA polymerase beta, Downstream Primer Strand, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
4IA2
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BU of 4ia2 by Molmil
Diastereotopic and Deuterium Effects in Gemini
分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
著者Maehr, H, Rochel, N, Suh, N, Uskokovic, M.
登録日2012-12-06
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
4QDV
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BU of 4qdv by Molmil
Dcps in complex with covalent ligand
分子名称: 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, GLYCEROL, PHOSPHATE ION, ...
著者Liu, S.
登録日2014-05-14
公開日2015-05-20
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dcps in complex with covalent ligands targeting Tyrosines
To be Published
6U6A
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BU of 6u6a by Molmil
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A
分子名称: 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-29
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
2A6E
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BU of 2a6e by Molmil
Crystal structure of the T. Thermophilus RNA polymerase holoenzyme
分子名称: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
著者Artsimovitch, I, Vassylyeva, M.N, Svetlov, D, Svetlov, V, Perederina, A, Igarashi, N, Matsugaki, N, Wakatsuki, S, Tahirov, T.H, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-02
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric modulation of the RNA polymerase catalytic reaction is an essential component of transcription control by rifamycins.
Cell(Cambridge,Mass.), 122, 2005
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
分子名称: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-06
公開日2013-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4Q7V
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BU of 4q7v by Molmil
Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4PX7
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BU of 4px7 by Molmil
Crystal structure of lipid phosphatase E. coli PgpB
分子名称: GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, Phosphatidylglycerophosphatase
著者Fan, J, Jiang, D, Zhao, Y, Zhang, X.C.
登録日2014-03-22
公開日2014-05-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of lipid phosphatase Escherichia coli phosphatidylglycerophosphate phosphatase B.
Proc.Natl.Acad.Sci.USA, 111, 2014
6CDH
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BU of 6cdh by Molmil
Crystal structure of ferrous form of the Cl-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
4Q83
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BU of 4q83 by Molmil
Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8X
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BU of 4q8x by Molmil
Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4ZLW
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BU of 4zlw by Molmil
Crystal structure of the PmFTN variant E130A soaked in iron (overnight)
分子名称: FE (III) ION, Ferritin
著者Pfaffen, S, Murphy, M.E.P.
登録日2015-05-01
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Diatom Ferritin Optimized for Iron Oxidation but Not Iron Storage.
J.Biol.Chem., 290, 2015
4HL0
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BU of 4hl0 by Molmil
Crystal structure of full-length Toxascaris leonina galectin
分子名称: galectin
著者Jeong, M.S.
登録日2012-10-15
公開日2013-02-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of full-length Toxascaris leonina galectin with two carbohydrate-recognition domains.
Acta Crystallogr.,Sect.D, 69, 2013
8UNI
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BU of 8uni by Molmil
LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tail
分子名称: Histone H3 (Fragment), Lysine-specific histone demethylase 1A, REST corepressor 1, ...
著者Caroli, J, Mattevi, A.
登録日2023-10-19
公開日2025-02-05
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published
8UOM
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BU of 8uom by Molmil
LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tail
分子名称: Histone H3 (Fragment), Lysine-specific histone demethylase 1A, REST corepressor 1, ...
著者Caroli, J, Mattevi, A.
登録日2023-10-20
公開日2025-02-05
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To Be Published

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件を2025-07-09に公開中

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