5CT0
| Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | Descriptor: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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4YZR
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6AMP
| Crystal structure of H172A PHM (CuH absent, CuM present) | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-10 | Release date: | 2018-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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4Z0L
| The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | Deposit date: | 2015-03-26 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Chemmedchem, 11, 2016
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2W55
| Crystal Structure of Xanthine Dehydrogenase (E232Q variant) from Rhodobacter capsulatus in Complex with Hypoxanthine | Descriptor: | BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C. | Deposit date: | 2008-12-04 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase. J.Biol.Chem., 284, 2009
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2CGJ
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5CVZ
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4Z42
| Crystal structure of urease from Yersinia enterocolitica | Descriptor: | NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ... | Authors: | Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T. | Deposit date: | 2015-04-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of urease from Yersinia enterocolitica To Be Published
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6WJQ
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2CBB
| STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A. | Deposit date: | 1992-06-01 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes. J.Mol.Biol., 227, 1992
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4H3E
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3FYG
| CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE OF ISOENZYME | Authors: | Xiao, G, Parsons, J.F, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1997-08-07 | Release date: | 1999-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational changes in the crystal structure of rat glutathione transferase M1-1 with global substitution of 3-fluorotyrosine for tyrosine. J.Mol.Biol., 281, 1998
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6AV4
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | Descriptor: | 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.867 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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4YSW
| Structure of rat xanthine oxidoreductase, C-terminal deletion protein variant, NADH bound form | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. | Deposit date: | 2015-03-17 | Release date: | 2015-04-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase. Febs J., 282, 2015
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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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6X78
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5D6G
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4YTZ
| Rat xanthine oxidoreductase, C-terminal deletion protein variant, crystal grown without dithiothreitol | Descriptor: | BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F, Nishino, T. | Deposit date: | 2015-03-18 | Release date: | 2015-04-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase Febs J., 282, 2015
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5D7J
| Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Keller, A.N, Woolley, R.E, Rossjohn, J. | Deposit date: | 2015-08-14 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity, 44, 2016
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4Y97
| Crystal Structure of human Pol alpha B-subunit in complex with C-terminal domain of catalytic subunit | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ZINC ION | Authors: | Suwa, Y, Gu, J, Baranovskiy, A.G, Babayeva, N.D, Tahirov, T.H. | Deposit date: | 2015-02-17 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of the Human Pol alpha B Subunit in Complex with the C-terminal Domain of the Catalytic Subunit. J.Biol.Chem., 290, 2015
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4H53
| Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors Nat Commun, 4, 2013
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2WGY
| Crystal structure of the G243A mutant of CYP130 from M. tuberculosis | Descriptor: | CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | Deposit date: | 2009-04-28 | Release date: | 2009-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
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2CEN
| P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-08 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 49, 2006
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2WBU
| CRYSTAL STRUCTURE OF THE ZINC FINGER DOMAIN OF KLF4 BOUND TO ITS TARGET DNA | Descriptor: | 5'-D(*DGP*DAP*DGP*DGP*DCP*DGP*DTP* DGP*DGP*DC)-3', 5'-D(*DGP*DCP*DCP*DAP*DCP*DGP*DCP* DCP*DTP*DC)-3', KRUEPPEL-LIKE FACTOR 4, ... | Authors: | Schuetz, A, Zocher, G, Carstanjen, D, Heinemann, U. | Deposit date: | 2009-03-05 | Release date: | 2010-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation. Cell.Mol.Life Sci., 68, 2011
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3G0G
| Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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