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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)
Descriptor: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite: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)
Descriptor: 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, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
2XBF
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BU of 2xbf by Molmil
Nedd4 HECT structure
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE NEDD4
Authors:Maspero, E, Cecatiello, V, Musacchio, A, Polo, S, Pasqualato, S.
Deposit date:2010-04-09
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structure of the Hect:Ubiquitin Complex and its Role in Ubiquitin Chain Elongation
Embo Rep., 12, 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)
Descriptor: 1,2-ETHANEDIOL, Cellulosomal scaffoldin adaptor protein B
Authors:Noach, I, Frolow, F, Bayer, E.A.
Deposit date:2009-03-04
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Intermodular linker flexibility revealed from crystal structures of adjacent cellulosomal cohesins of Acetivibrio cellulolyticus
J.Mol.Biol., 391, 2009
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)
Descriptor: 3H-imidazo[2,1-b]purin-4(5H)-one, Nucleoside deoxyribosyltransferase, SULFATE ION
Authors:Paul, D, Seckute, J, Ealick, S.E.
Deposit date:2013-08-26
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ...
Authors:Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J.
Deposit date:2012-02-26
Release date:2012-09-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 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
Authors:Zhang, E.Y, Ha, B.H, Boggon, T.J.
Deposit date:2017-04-04
Release date:2017-10-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SULFATE ION, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2017-04-29
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION
Authors: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.
Deposit date:2010-04-30
Release date:2010-06-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 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'), ...
Authors:Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D.
Deposit date:2023-12-15
Release date:2024-09-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Multidomain protein including DUF1735
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-30
Release date:2011-07-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A.
Deposit date:2024-02-11
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-hydroxyacyl-CoA lyase-like protein 1, ACETATE ION, ...
Authors:Kim, Y, Gade, P, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A.
Deposit date:2024-02-11
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Isabet, T, Blanc, F, Sweeney, H.L, Houdusse, A.
Deposit date:2016-02-04
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Fe/2-OG dependent dioxygenase MysH, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2024-06-14
Release date:2025-10-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 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'), ...
Authors:Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D.
Deposit date:2023-12-15
Release date:2024-09-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: ESTROGEN-RELATED RECEPTOR GAMMA, steroid receptor coactivator 1
Authors:Greschik, H, Wurtz, J.-M, Sanglier, S, Bourguet, W, van Dorsselaer, A, Moras, D, Renaud, J.-P, Structural Proteomics in Europe (SPINE)
Deposit date:2002-01-25
Release date:2003-01-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, CALCIUM ION, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2010-07-02
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-10-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BHRF1, BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ...
Authors:Kvansakul, M, Huang, D.C.S, Colman, P.M.
Deposit date:2010-08-31
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Pathogenesis related 10-10 C59S mutant
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2024-01-14
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*GP*C)-3'), ...
Authors:Kaminski, A.M, Bebenek, K, Pedersen, L.C, Kunkel, T.A.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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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数据于2025-10-22公开中

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