5EPY
 
 | | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue) | | Descriptor: | 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, ... | | Authors: | Soumana, D.I, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | | Deposit date: | 2015-11-12 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
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7EBL
 | | Bacterial STING in complex with c-di-GMP | | Descriptor: | 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 | | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2021-03-10 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
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7EBD
 | | Bacterial STING in complex with c-di-GMP | | Descriptor: | 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 | | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-15 | | Last modified: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
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8GCI
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2UZW
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | 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. | | Deposit date: | 2007-05-01 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
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7KHA
 | | Cryo-EM Structure of the Desulfovibrio vulgaris Type I-C Apo Cascade | | Descriptor: | CRISPR-associated protein, CT1133 family, CT1134 family, ... | | Authors: | O'Brien, R, Wrapp, D, Bravo, J.P.K, Schwartz, E, Taylor, D. | | Deposit date: | 2020-10-20 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural basis for assembly of non-canonical small subunits into type I-C Cascade.
Nat Commun, 11, 2020
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5MRD
 | | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | 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. | | Deposit date: | 2016-12-22 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
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4XU0
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3IWZ
 | | The c-di-GMP Responsive Global Regulator CLP Links Cell-Cell Signaling to Virulence Gene Expression in Xanthomonas campestris | | Descriptor: | Catabolite activation-like protein | | Authors: | Chin, K.H, Tu, Z.L, Tseng, Y.H, Dow, J.M, Wang, A.H.J, Chou, S.H. | | Deposit date: | 2009-09-03 | | Release date: | 2009-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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7KQ4
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2VBJ
 | | Molecular basis of human XPC gene recognition and cleavage by engineered homing endonuclease heterodimers | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2007-09-14 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular Basis of Xeroderma Pigmentosum Group C DNA Recognition by Engineered Meganucleases
Nature, 456, 2008
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5CCP
 | | HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brown, K, Shaw, A, Miller, M.A, Kraut, J. | | Deposit date: | 1993-06-07 | | Release date: | 1993-10-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I.
Biochemistry, 32, 1993
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1FI3
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8T3I
 | | Crystal structure of mutant exfoliative toxin C (ExhC) from Mammaliicoccus sciuri | | Descriptor: | Exfoliative toxin C | | Authors: | Gismene, C, Calil, F.A, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R. | | Deposit date: | 2023-06-07 | | Release date: | 2023-11-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues.
Int.J.Biol.Macromol., 254, 2024
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2WCX
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5C9M
 | | The structure of oxidized rat cytochrome c (T28A) at 1.362 angstroms resolution. | | Descriptor: | Cytochrome c, somatic, HEME C, ... | | Authors: | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | | Deposit date: | 2015-06-28 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.362 Å) | | Cite: | The structure of oxidized rat cytochrome c (T28A) at 1.362 angstroms resolution.
To Be Published
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4Y8D
 | | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | | Authors: | 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) | | Deposit date: | 2015-02-16 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
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6NL3
 | | Solution structure of human Coa6 | | Descriptor: | Cytochrome c oxidase assembly factor 6 homolog | | Authors: | Naik, M.T, Soma, S, Gohil, V. | | Deposit date: | 2019-01-07 | | Release date: | 2019-11-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | COA6 Is Structurally Tuned to Function as a Thiol-Disulfide Oxidoreductase in Copper Delivery to Mitochondrial Cytochrome c Oxidase.
Cell Rep, 29, 2019
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7CCP
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3ZTZ
 | | Cytochrome c prime from alcaligenes xylosoxidans: carbon monooxide bound L16G variant at 1.05 A resolution: unrestraint refinement | | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C | | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | | Deposit date: | 2011-07-12 | | Release date: | 2011-10-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5MPT
 | | Structure of the citrinin polyketide synthase CMeT domain | | Descriptor: | 1,2-ETHANEDIOL, Citrinin polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Herbst, D.A, Storm, P.A, Townsend, C.A, Maier, T. | | Deposit date: | 2016-12-19 | | Release date: | 2017-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.648 Å) | | Cite: | Functional and Structural Analysis of Programmed C-Methylation in the Biosynthesis of the Fungal Polyketide Citrinin.
Cell Chem Biol, 24, 2017
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6SX4
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4APP
 | | 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 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2012-04-04 | | Release date: | 2012-06-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
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1GM4
 | | OXIDISED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 at pH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C, SULFATE ION | | Authors: | Bento, I, Louro, R, Matias, P.M, Catarino, T, Baptista, A.M, Soares, C.M, Carrondo, M.A, Turner, D.L, Xavier, A.V. | | Deposit date: | 2001-09-10 | | Release date: | 2002-09-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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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1GMB
 | | Reduced structure of CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 at pH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C, SULFATE ION | | Authors: | Bento, I, Louro, R, Matias, P.M, Catarino, T, Baptista, A.M, Soares, C.M, Carrondo, M.A, Turner, D.L, Xavier, A.V. | | Deposit date: | 2001-09-12 | | Release date: | 2002-09-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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