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8G64
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Heme-bound flavodoxin FldH from Fusobacterium nucleatum
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Chan, A.C, Wolthers, K.R, Murphy, M.E.
登録日2023-02-14
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new member of the flavodoxin superfamily from Fusobacterium nucleatum that functions in heme trafficking and reduction of anaerobilin.
J.Biol.Chem., 299, 2023
6OY8
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Crystal structure of Y99G mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2019-05-14
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6W21
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ClpAP Engaged2 State bound to RepA-GFP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ...
著者Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R.
登録日2020-03-04
公開日2020-05-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
5I88
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BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
6OJR
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Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
分子名称: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
著者Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
登録日2019-04-12
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
5GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
6XZD
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BU of 6xzd by Molmil
Influenza C virus polymerase complex without chicken ANP32A - Subclass 2
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*CP*UP*GP*C)-3'), ...
著者Keown, J.R, Carrique, L, Fan, H, Grimes, J.M, Fodor, E.
登録日2020-02-04
公開日2020-12-23
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
6OCR
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BU of 6ocr by Molmil
Crystal structure of human KCTD16 T1 domain
分子名称: BTB/POZ domain-containing protein KCTD16
著者Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R.
登録日2019-03-25
公開日2019-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
1S1V
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Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651
分子名称: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
7R9W
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LC3A in complex with Fragment 1-1
分子名称: 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
8VB1
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Crystal structure of HIV-1 protease with GS-9770
分子名称: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease
著者Lansdon, E.B.
登録日2023-12-11
公開日2024-03-06
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
7R9Z
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BU of 7r9z by Molmil
LC3A in complex with Fragment 2-3
分子名称: (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7RA0
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LC3A in complex with Fragment 2-10
分子名称: (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7TMZ
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BU of 7tmz by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-20
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.20002 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9F
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Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-10
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.70000529 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
6ZJB
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BU of 6zjb by Molmil
Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Gp5A
分子名称: GTP:AMP phosphotransferase AK3, mitochondrial, MAGNESIUM ION, ...
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2020-06-28
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
6Z7W
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BU of 6z7w by Molmil
Human insulin in complex with the analytical antibody HUI-018 Fab
分子名称: HUI-018 Fab Heavy Chain, Insulin, MAb 6H10 light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6BAO
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Stigmatella aurantiaca phytochrome photosensory core module, wild type
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Schmidt, M, Stojkovic, E.
登録日2017-10-14
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
8QR0
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Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 4.3
分子名称: Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE
著者Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A.
登録日2023-10-06
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
1GOT
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HETEROTRIMERIC COMPLEX OF A GT-ALPHA/GI-ALPHA CHIMERA AND THE GT-BETA-GAMMA SUBUNITS
分子名称: GT-ALPHA/GI-ALPHA CHIMERA, GT-BETA, GT-GAMMA, ...
著者Lambright, D.G, Sondek, J, Bohm, A, Skiba, N.P, Hamm, H.E, Sigler, P.B.
登録日1996-08-07
公開日1997-03-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A crystal structure of a heterotrimeric G protein.
Nature, 379, 1996
6T8K
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Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc product in P1
分子名称: CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E.
登録日2019-10-24
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
Nat Commun, 11, 2020
1GNQ
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BU of 1gnq by Molmil
X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
著者Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S.
登録日1995-05-11
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp.
J.Mol.Biol., 253, 1995
8G57
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Structure of nucleosome-bound Sirtuin 6 deacetylase
分子名称: DNA strand 1, DNA strand 2, Histone H2A type 1-B/E, ...
著者Chio, U.S, Rechiche, O, Bryll, A.R, Zhu, J, Feldman, J.L, Peterson, C.L, Tan, S, Armache, J.-P.
登録日2023-02-11
公開日2023-04-26
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Cryo-EM structure of the human Sirtuin 6-nucleosome complex.
Sci Adv, 9, 2023
6T40
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Bovine enterovirus F3 in complex with a Cysteinylglycine dipeptide
分子名称: CHLORIDE ION, CYSTEINE, GLYCEROL, ...
著者Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I.
登録日2019-10-11
公開日2020-08-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
6TCV
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Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc2Asn substrate
分子名称: ASPARAGINE, Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, ...
著者Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E.
登録日2019-11-06
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.311 Å)
主引用文献Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
Nat Commun, 11, 2020

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