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5EPY
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Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue)
分子名称: 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ...
著者Soumana, D.I, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A.
登録日2015-11-12
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
7EBL
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Bacterial STING in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), STING
著者Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2021-03-10
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
7EBD
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Bacterial STING in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, TIR-like domain-containing protein
著者Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2021-03-09
公開日2021-09-15
最終更新日2022-01-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
8GCI
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Crystal structure of C. elegans LIN-42 PAS-B domain
分子名称: Period protein homolog lin-42
著者Spangler, B.K, Coronado, A.R, Tripathi, S.M, Ward, J.D, Partch, C.L.
登録日2023-03-01
公開日2023-03-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of C. elegans LIN-42 PAS-B domain
To Be Published
2UZW
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BU of 2uzw by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
7KHA
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Cryo-EM Structure of the Desulfovibrio vulgaris Type I-C Apo Cascade
分子名称: CRISPR-associated protein, CT1133 family, CT1134 family, ...
著者O'Brien, R, Wrapp, D, Bravo, J.P.K, Schwartz, E, Taylor, D.
登録日2020-10-20
公開日2020-11-11
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structural basis for assembly of non-canonical small subunits into type I-C Cascade.
Nat Commun, 11, 2020
5MRD
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BU of 5mrd by Molmil
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M.
登録日2016-12-22
公開日2017-01-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
4XU0
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Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
分子名称: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine, Bifunctional ligase/repressor BirA
著者De la Mora-Rey, T, Finzel, B.C.
登録日2015-01-24
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.60000169 Å)
主引用文献Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
3IWZ
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BU of 3iwz by Molmil
The c-di-GMP Responsive Global Regulator CLP Links Cell-Cell Signaling to Virulence Gene Expression in Xanthomonas campestris
分子名称: Catabolite activation-like protein
著者Chin, K.H, Tu, Z.L, Tseng, Y.H, Dow, J.M, Wang, A.H.J, Chou, S.H.
登録日2009-09-03
公開日2009-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The cAMP receptor-like protein CLP is a novel c-di-GMP receptor linking cell-cell signaling to virulence gene expression in Xanthomonas campestris.
J.Mol.Biol., 396, 2010
7KQ4
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Structure of isethionate sulfite-lyase from Bilophila wadsworthia with glycerol bound
分子名称: GLYCEROL, Isethionate sulfite-lyase
著者Dawson, C.D, Backman, L.R.F, Drennan, C.L.
登録日2020-11-13
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase.
Cell Chem Biol, 28, 2021
2VBJ
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BU of 2vbj by Molmil
Molecular basis of human XPC gene recognition and cleavage by engineered homing endonuclease heterodimers
分子名称: 5'-D(*TP*CP*TP*GP*CP*CP*TP*TP*TP*TP *TP*TP*GP*AP*AP*GP*GP*AP*TP*CP*CP*TP*AP*A)-3', 5'-D(*TP*TP*AP*GP*GP*AP*TP*CP*CP*TP *TP*CP*AP*AP*AP*AP*AP*AP*GP*GP*CP*AP*GP*A)-3', CALCIUM ION, ...
著者Redondo, P, Prieto, J, Munoz, I.G, Alibes, A, Stricher, F, Serrano, L, Arnould, S, Perez, C, Cabaniols, J.P, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G.
登録日2007-09-14
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular Basis of Xeroderma Pigmentosum Group C DNA Recognition by Engineered Meganucleases
Nature, 456, 2008
5CCP
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HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Brown, K, Shaw, A, Miller, M.A, Kraut, J.
登録日1993-06-07
公開日1993-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I.
Biochemistry, 32, 1993
1FI3
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BU of 1fi3 by Molmil
SOLUTION STRUCTURE OF THE M61H MUTANT OF PSEUDOMONAS STUTZERI SUBSTRAIN ZOBELL FERROCYTOCHROME C-551
分子名称: CYTOCHROME C-551, HEME C
著者Miller, G.T, Hardman, J.K, Timkovich, R.
登録日2000-08-03
公開日2001-03-14
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献Solution conformation of the Met 61 to His 61 mutant of Pseudomonas stutzeri ZoBell ferrocytochrome c-551.
Biophys.J., 80, 2001
8T3I
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Crystal structure of mutant exfoliative toxin C (ExhC) from Mammaliicoccus sciuri
分子名称: Exfoliative toxin C
著者Gismene, C, Calil, F.A, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R.
登録日2023-06-07
公開日2023-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues.
Int.J.Biol.Macromol., 254, 2024
2WCX
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Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
分子名称: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-03-17
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
5C9M
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The structure of oxidized rat cytochrome c (T28A) at 1.362 angstroms resolution.
分子名称: Cytochrome c, somatic, HEME C, ...
著者Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M.
登録日2015-06-28
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.362 Å)
主引用文献The structure of oxidized rat cytochrome c (T28A) at 1.362 angstroms resolution.
To Be Published
4Y8D
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Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-02-16
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
6NL3
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Solution structure of human Coa6
分子名称: Cytochrome c oxidase assembly factor 6 homolog
著者Naik, M.T, Soma, S, Gohil, V.
登録日2019-01-07
公開日2019-11-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献COA6 Is Structurally Tuned to Function as a Thiol-Disulfide Oxidoreductase in Copper Delivery to Mitochondrial Cytochrome c Oxidase.
Cell Rep, 29, 2019
7CCP
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EFFECT OF ARGININE-48 REPLACEMENT ON THE REACTION BETWEEN CYTOCHROME C PEROXIDASE AND HYDROGEN PEROXIDE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, J, Miller, M.A, Kraut, J.
登録日1993-06-07
公開日1993-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effect of arginine-48 replacement on the reaction between cytochrome c peroxidase and hydrogen peroxide.
Biochemistry, 32, 1993
3ZTZ
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Cytochrome c prime from alcaligenes xylosoxidans: carbon monooxide bound L16G variant at 1.05 A resolution: unrestraint refinement
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-12
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
5MPT
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Structure of the citrinin polyketide synthase CMeT domain
分子名称: 1,2-ETHANEDIOL, Citrinin polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE
著者Herbst, D.A, Storm, P.A, Townsend, C.A, Maier, T.
登録日2016-12-19
公開日2017-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Functional and Structural Analysis of Programmed C-Methylation in the Biosynthesis of the Fungal Polyketide Citrinin.
Cell Chem Biol, 24, 2017
6SX4
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Structure of C. glutamicum mycoloyltransferase A
分子名称: ACETATE ION, Protein PS1
著者Li de la Sierra-Gallay, I, Van tilbeurgh, H, Bayan, N.
登録日2019-09-24
公開日2020-03-04
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献The C-terminal domain of Corynebacterium glutamicum mycoloyltransferase A is composed of five repeated motifs involved in cell wall binding and stability.
Mol.Microbiol., 114, 2020
4APP
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Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
分子名称: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
著者Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
登録日2012-04-04
公開日2012-06-06
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
1GM4
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OXIDISED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 at pH 7.6
分子名称: CYTOCHROME C3, HEME C, SULFATE ION
著者Bento, I, Louro, R, Matias, P.M, Catarino, T, Baptista, A.M, Soares, C.M, Carrondo, M.A, Turner, D.L, Xavier, A.V.
登録日2001-09-10
公開日2002-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conformational Component in the Coupled Transfer of Multiple Electrons and Protons in a Monomeric Tetraheme Cytochrome.
J.Biol.Chem., 276, 2001
1GMB
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Reduced structure of CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 at pH 7.6
分子名称: CYTOCHROME C3, HEME C, SULFATE ION
著者Bento, I, Louro, R, Matias, P.M, Catarino, T, Baptista, A.M, Soares, C.M, Carrondo, M.A, Turner, D.L, Xavier, A.V.
登録日2001-09-12
公開日2002-09-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Component in the Coupled Transfer of Multiple Electrons and Protons in a Monomeric Tetraheme Cytochrome
J.Biol.Chem., 276, 2001

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