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2BRK
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BU of 2brk by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
分子名称: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2XN6
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BU of 2xn6 by Molmil
Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein
分子名称: 1,2-ETHANEDIOL, 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID, 3,5,3',5'-TETRAIODO-L-THYRONINE, ...
著者Qi, X, Yan, Y, Wei, Z, Zhou, A.
登録日2010-07-30
公開日2011-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
2XN7
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BU of 2xn7 by Molmil
Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein (T405-CF)
分子名称: 1,2-ETHANEDIOL, 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID, 3,5,3',5'-TETRAIODO-L-THYRONINE, ...
著者Qi, X, Yan, Y, Wei, Z, Zhou, A.
登録日2010-07-30
公開日2011-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
3GHP
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BU of 3ghp by Molmil
Structure of the second type II cohesin module from the adaptor ScaA scaffoldin of Acetivibrio cellulolyticus (including long C-terminal linker)
分子名称: 1,2-ETHANEDIOL, Cellulosomal scaffoldin adaptor protein B
著者Noach, I, Frolow, F, Bayer, E.A.
登録日2009-03-04
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Intermodular linker flexibility revealed from crystal structures of adjacent cellulosomal cohesins of Acetivibrio cellulolyticus
J.Mol.Biol., 391, 2009
2XBF
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BU of 2xbf by Molmil
Nedd4 HECT structure
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE NEDD4
著者Maspero, E, Cecatiello, V, Musacchio, A, Polo, S, Pasqualato, S.
登録日2010-04-09
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structure of the Hect:Ubiquitin Complex and its Role in Ubiquitin Chain Elongation
Embo Rep., 12, 2011
4MEJ
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BU of 4mej by Molmil
Crystal structure of Lactobacillus helveticus purine deoxyribosyl transferase (PDT) with the tricyclic purine 8,9-dihydro-9-oxoimidazo[2,1-b]purine (N2,3-ethenoguanine)
分子名称: 3H-imidazo[2,1-b]purin-4(5H)-one, Nucleoside deoxyribosyltransferase, SULFATE ION
著者Paul, D, Seckute, J, Ealick, S.E.
登録日2013-08-26
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Glycosylation of a tricyclic purine analog at alternative sites by nucleoside 2 -deoxyribosyltransferases
Plos One, 2014
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4DWQ
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BU of 4dwq by Molmil
RNA ligase RtcB-GMP/Mn(2+) complex
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ...
著者Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J.
登録日2012-02-26
公開日2012-09-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DQA
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BU of 4dqa by Molmil
Crystal structure of a putative carbohydrate binding protein (BACOVA_03559) from Bacteroides ovatus ATCC 8483 at 1.50 A resolution
分子名称: uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2012-02-15
公開日2012-03-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a hypothetical protein (BACOVA_03559) from Bacteroides ovatus ATCC 8483 at 1.50 A resolution
To be published
5VEE
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BU of 5vee by Molmil
PAK4 kinase domain in complex with FRAX486
分子名称: 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 4
著者Zhang, E.Y, Ha, B.H, Boggon, T.J.
登録日2017-04-04
公開日2017-10-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PAK4 crystal structures suggest unusual kinase conformational movements.
Biochim. Biophys. Acta, 1866, 2018
5VNA
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BU of 5vna by Molmil
Crystal structure of human YEATS domain
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SULFATE ION, ...
著者Cho, H.J, Cierpicki, T.
登録日2017-04-29
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode.
ACS Chem. Biol., 13, 2018
2XDG
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BU of 2xdg by Molmil
Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor.
分子名称: 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION
著者Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P.
登録日2010-04-30
公開日2010-06-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor.
To be Published
8VDH
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BU of 8vdh by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAGAAGGAAGTGGG) in Ternary Complex with DB2447
分子名称: 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*GP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*CP*TP*AP*T)-3'), ...
著者Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D.
登録日2023-12-15
公開日2024-09-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics.
Rsc Adv, 14, 2024
3SOT
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BU of 3sot by Molmil
Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution
分子名称: 1,2-ETHANEDIOL, Multidomain protein including DUF1735
著者Joint Center for Structural Genomics (JCSG)
登録日2011-06-30
公開日2011-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution
To be published
8VZA
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BU of 8vza by Molmil
Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, L-Lactyl-CoA, and ADP
分子名称: 2-Hydroxyacyl-CoA lyase/Synthase, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ACETYL GROUP, ...
著者Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A.
登録日2024-02-11
公開日2024-10-02
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
8VZI
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BU of 8vzi by Molmil
Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase CcHACS from Conidiobolus coronatus in the Complex with THDP and ADP
分子名称: 1,2-ETHANEDIOL, 2-hydroxyacyl-CoA lyase-like protein 1, ACETATE ION, ...
著者Kim, Y, Gade, P, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A.
登録日2024-02-11
公開日2024-10-02
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
5I0H
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BU of 5i0h by Molmil
Crystal structure of myosin X motor domain in pre-powerstroke state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Isabet, T, Blanc, F, Sweeney, H.L, Houdusse, A.
登録日2016-02-04
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
9C9N
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BU of 9c9n by Molmil
Crystal structure of Fe/2-OG dependent dioxygenase MysH in complex with nickel and succinate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Fe/2-OG dependent dioxygenase MysH, ...
著者Wanniarachchi, T.N, Bruner, S.D.
登録日2024-06-14
公開日2025-10-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of non-heme iron and alpha-ketoglutarate dependent dioxygenase MysH (To be published)
To Be Published
8VDI
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BU of 8vdi by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) in Ternary Complex with DB2447
分子名称: 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), ...
著者Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D.
登録日2023-12-15
公開日2024-09-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics.
Rsc Adv, 14, 2024
1KV6
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BU of 1kv6 by Molmil
X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation
分子名称: ESTROGEN-RELATED RECEPTOR GAMMA, steroid receptor coactivator 1
著者Greschik, H, Wurtz, J.-M, Sanglier, S, Bourguet, W, van Dorsselaer, A, Moras, D, Renaud, J.-P, Structural Proteomics in Europe (SPINE)
登録日2002-01-25
公開日2003-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Functional Evidence for Ligand-Independent Transcriptional Activation by the Estrogen-Related Receptor 3
Mol.Cell, 9, 2002
2XJ7
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BU of 2xj7 by Molmil
BtGH84 in complex with 6-acetamido-6-deoxy-castanospermine
分子名称: 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, CALCIUM ION, O-GLCNACASE BT_4395
著者He, Y, Davies, G.J.
登録日2010-07-02
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of O-Glcnacase Using a Potent and Cell-Permeable Inhibitor Does not Induce Insulin Resistance in 3T3-L1 Adipocytes.
Chem.Biol., 17, 2010
8VGQ
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BU of 8vgq by Molmil
CryoEM structure of GNE-1952-alkylated KRAS G12C in complex with engineered conformationally rigid Fab 2H11.4DS
分子名称: 1-{4-[(7M)-6-methyl-7-(5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, Fab 2H11.4DS heavy chain, Fab 2H11.4DS light chain, ...
著者Kung, J.E, Sudhamsu, J.
登録日2023-12-27
公開日2024-10-30
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Disulfi de constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
2XPX
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BU of 2xpx by Molmil
Crystal structure of BHRF1:Bak BH3 complex
分子名称: 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BHRF1, BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ...
著者Kvansakul, M, Huang, D.C.S, Colman, P.M.
登録日2010-08-31
公開日2011-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1.
Plos Pathog., 6, 2010
8VO3
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BU of 8vo3 by Molmil
Pathogenesis related 10-10 C59S mutant papaverine complex
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Pathogenesis related 10-10 C59S mutant
著者Carr, S.C, Ng, K.K.S.
登録日2024-01-14
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of a ligand-triggered intermolecular disulfide switch in a major latex protein from opium poppy.
Acta Crystallogr D Struct Biol, 80, 2024
7M0E
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BU of 7m0e by Molmil
Pre-catalytic synaptic complex of DNA Polymerase Lambda with gapped DSB substrate and incoming dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*GP*C)-3'), ...
著者Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Nat Commun, 13, 2022

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