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3NY2
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BU of 3ny2 by Molmil
Structure of the ubr-box of UBR2 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase UBR2, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
7KFA
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BU of 7kfa by Molmil
PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
著者Chopra, R, Xu, M, Spraggon, G.
登録日2020-10-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
2VTH
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BU of 2vth by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
6B6W
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BU of 6b6w by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 2), oxidized C-cluster
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
8UZ5
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BU of 8uz5 by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-free rotated state from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-14
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
7AEQ
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BU of 7aeq by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide
分子名称: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-18
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
6PQZ
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BU of 6pqz by Molmil
P133G/S128A S. typhimurium siroheme synthase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
7KEZ
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BU of 7kez by Molmil
Crystal structure of bH1 Fab variant (CDR H3 loop design 16_0325) in complex with VEGF
分子名称: CHLORIDE ION, Isoform L-VEGF206 of Vascular endothelial growth factor A, anti-VEGF-A Fab bH1 heavy chain, ...
著者Shi, R, Manenda, M.S, Picard, M.-E.
登録日2020-10-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of bH1 Fab CDR H3 loop variants in apo form and in complex with VEGF
to be published
7AES
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BU of 7aes by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide
分子名称: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-18
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7ASZ
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BU of 7asz by Molmil
L-2-haloacid dehalogenase H190A mutant from Zobellia galactanivorans
分子名称: (S)-2-haloacid dehalogenase, PHOSPHATE ION, THIOCYANATE ION
著者Grigorian, E, Roret, T, Czjzek, M, Leblanc, C, Delage, L.
登録日2020-10-28
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献X-ray structure and mechanism of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 2022
7AGN
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BU of 7agn by Molmil
Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide
分子名称: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
8UUW
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BU of 8uuw by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
7ARP
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BU of 7arp by Molmil
Native L-2-haloacid dehalogenase from Zobellia galactanivorans
分子名称: (S)-2-haloacid dehalogenase, PHOSPHATE ION, THIOCYANATE ION
著者Grigorian, E, Roret, T, Czjzek, M, Leblanc, C, Delage, L.
登録日2020-10-26
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献X-ray structure and mechanism of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 2022
7KF0
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BU of 7kf0 by Molmil
Crystal structure of bH1 Fab variant (CDR H3 loop design 13_0346) in complex with VEGF
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Isoform L-VEGF206 of Vascular endothelial growth factor A, ...
著者Shi, R, Picard, M.-E.
登録日2020-10-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structure of bH1 Fab CDR H3 loop variants in apo form and in complex with VEGF
to be published
3J8I
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BU of 3j8i by Molmil
Near-Atomic Resolution for One State of F-Actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Galkin, V.E.
登録日2014-11-06
公開日2015-01-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Near-atomic resolution for one state of f-actin.
Structure, 23, 2015
6P5Z
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BU of 6p5z by Molmil
Cobalt-sirohydrochlorin-bound S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-05-31
公開日2021-06-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
5SV1
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BU of 5sv1 by Molmil
Structure of the ExbB/ExbD complex from E. coli at pH 4.5
分子名称: Biopolymer transport protein ExbB, Biopolymer transport protein ExbD, MERCURY (II) ION
著者Celia, H, Botos, I, Lloubes, R, Buchanan, S.K, Noinaj, N.
登録日2016-08-04
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural insight into the role of the Ton complex in energy transduction.
Nature, 538, 2016
3O6W
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BU of 3o6w by Molmil
Crystal structure of monomeric KlHxk1 in crystal form VIII (open state)
分子名称: GLYCEROL, Hexokinase, PHOSPHATE ION
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-29
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
7AGJ
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BU of 7agj by Molmil
Ribonucleotide Reductase R1 protein from Aquifex aeolicus
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-22
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
2EIB
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BU of 2eib by Molmil
Crystal Structure of Galactose Oxidase, W290H mutant
分子名称: ACETATE ION, COPPER (II) ION, Galactose oxidase, ...
著者Phillips, S.E, McPherson, M.J, Knowles, P.F, Wilmot, C.
登録日2007-03-12
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
2WAA
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BU of 2waa by Molmil
Structure of a family two carbohydrate esterase from Cellvibrio japonicus
分子名称: ACETATE ION, GLYCEROL, XYLAN ESTERASE, ...
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-04
公開日2009-03-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
5IY0
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BU of 5iy0 by Molmil
PfMCM N-terminal domain double hexamer
分子名称: Cell division control protein 21, ZINC ION
著者Meagher, M, Enemark, E.J.
登録日2016-03-23
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of a double hexamer of the Pyrococcus furiosus minichromosome maintenance protein N-terminal domain.
Acta Crystallogr.,Sect.F, 72, 2016
7KEV
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BU of 7kev by Molmil
PCSK9 in complex with a cyclic peptide LDLR disruptor
分子名称: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ...
著者Spraggon, G, Chopra, R.
登録日2020-10-12
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
2J5D
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BU of 2j5d by Molmil
NMR structure of BNIP3 transmembrane domain in lipid bicelles
分子名称: BCL2/ADENOVIRUS E1B 19 KDA PROTEIN-INTERACTING PROTEIN 3
著者Bocharov, E.V, Pustovalova, Y.E, Volynsky, P.E, Maslennikov, I.V, Goncharuk, M.V, Ermolyuk, Y.S, Arseniev, A.S.
登録日2006-09-14
公開日2007-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Unique dimeric structure of BNip3 transmembrane domain suggests membrane permeabilization as a cell death trigger.
J. Biol. Chem., 282, 2007
5FMJ
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BU of 5fmj by Molmil
Bcl-xL with mouse Bak BH3 Q75L complex
分子名称: 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1
著者Fairlie, W.D, Lee, E.F, Smith, B.J.
登録日2015-11-06
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016

223790

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