6GWJ
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![BU of 6gwj by Molmil](/molmil-images/mine/6gwj) | Human OSGEP / LAGE3 / GON7 complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ... | Authors: | Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H. | Deposit date: | 2018-06-25 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome. Nat Commun, 10, 2019
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6GQM
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![BU of 6gqm by Molmil](/molmil-images/mine/6gqm) | Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | Descriptor: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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2AYQ
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1L9L
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![BU of 1l9l by Molmil](/molmil-images/mine/1l9l) | GRANULYSIN FROM HUMAN CYTOLYTIC T LYMPHOCYTES | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ETHANOL, Granulysin, ... | Authors: | Anderson, D.H, Sawaya, M.R, Cascio, D, Ernst, W, Krensky, A, Modlin, R, Eisenberg, D. | Deposit date: | 2002-03-25 | Release date: | 2002-11-06 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Granulysin Crystal Structure and a Structure-Derived Lytic Mechanism J.Mol.Biol., 325, 2002
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1LQU
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![BU of 1lqu by Molmil](/molmil-images/mine/1lqu) | Mycobacterium tuberculosis FprA in complex with NADPH | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FprA, ... | Authors: | Bossi, R.T, Aliverti, A, Raimondi, D, Fischer, F, Zanetti, G, Ferrari, D, Tahallah, N, Maier, C.S, Heck, A.J.R, Rizzi, M, Mattevi, A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-05-13 | Release date: | 2002-07-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase. Biochemistry, 41, 2002
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4D1S
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![BU of 4d1s by Molmil](/molmil-images/mine/4d1s) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-05-05 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D0X
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![BU of 4d0x by Molmil](/molmil-images/mine/4d0x) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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2ETL
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![BU of 2etl by Molmil](/molmil-images/mine/2etl) | Crystal Structure of Ubiquitin Carboxy-terminal Hydrolase L1 (UCH-L1) | Descriptor: | CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | Authors: | Das, C, Hoang, Q.Q, Kreinbring, C.A, Luchansky, S.J, Meray, R.K, Ray, S.S, Lansbury, P.T, Ringe, D, Petsko, G.A. | Deposit date: | 2005-10-27 | Release date: | 2006-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for conformational plasticity of the Parkinson's disease-associated ubiquitin hydrolase UCH-L1. Proc.Natl.Acad.Sci.USA, 103, 2006
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2AAT
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![BU of 2aat by Molmil](/molmil-images/mine/2aat) | 2.8-ANGSTROMS-RESOLUTION CRYSTAL STRUCTURE OF AN ACTIVE-SITE MUTANT OF ASPARTATE AMINOTRANSFERASE FROM ESCHERICHIA COLI | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, SULFATE ION | Authors: | Smith, D, Almo, S.C, Toney, M, Ringe, D. | Deposit date: | 1989-05-30 | Release date: | 1989-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.8-A-resolution crystal structure of an active-site mutant of aspartate aminotransferase from Escherichia coli. Biochemistry, 28, 1989
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1J97
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![BU of 1j97 by Molmil](/molmil-images/mine/1j97) | Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase | Authors: | Cho, H, Wang, W, Kim, R, Yokota, H, Damo, S, Kim, S.-H, Wemmer, D, Kustu, S, Yan, D, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2001-05-24 | Release date: | 2001-07-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase. Proc.Natl.Acad.Sci.USA, 98, 2001
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1K0T
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![BU of 1k0t by Molmil](/molmil-images/mine/1k0t) | NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB | Descriptor: | IRON/SULFUR CLUSTER, PSAC SUBUNIT OF PHOTOSYSTEM I | Authors: | Antonkine, M.L, Liu, G, Bentrop, D, Bryant, D.A, Bertini, I, Luchinat, C, Golbeck, J.H, Stehlik, D. | Deposit date: | 2001-09-20 | Release date: | 2002-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the unbound, oxidized Photosystem I subunit PsaC, containing [4Fe-4S] clusters F(A) and F(B): a conformational change occurs upon binding to photosystem I. J.Biol.Inorg.Chem., 7, 2002
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1K2X
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1JRK
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![BU of 1jrk by Molmil](/molmil-images/mine/1jrk) | Crystal Structure of a Nudix Protein from Pyrobaculum aerophilum Reveals a Dimer with Intertwined Beta Sheets | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nudix homolog | Authors: | Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2001-08-13 | Release date: | 2002-04-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets. Acta Crystallogr.,Sect.D, 58, 2002
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4TNH
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![BU of 4tnh by Molmil](/molmil-images/mine/4tnh) | RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.900007 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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2LBM
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![BU of 2lbm by Molmil](/molmil-images/mine/2lbm) | |
1LGR
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4TNL
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![BU of 4tnl by Molmil](/molmil-images/mine/4tnl) | 1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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1R0Q
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![BU of 1r0q by Molmil](/molmil-images/mine/1r0q) | Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme | Descriptor: | 2-FORMYL-PROTOPORPHRYN IX, Cytochrome c-552 | Authors: | Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A. | Deposit date: | 2003-09-22 | Release date: | 2004-09-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme. Biochemistry, 43, 2004
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3CLV
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![BU of 3clv by Molmil](/molmil-images/mine/3clv) | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ... | Authors: | Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-20 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c To be Published
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1LMI
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![BU of 1lmi by Molmil](/molmil-images/mine/1lmi) | 1.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF A SECRETED PROTEIN FROM MYCOBACTERIUM TUBERCULOSIS-MPT63 | Descriptor: | Immunogenic protein MPT63/MPB63 | Authors: | Goulding, C.W, Parseghian, A, Sawaya, M.R, Cascio, D, Apostol, M, Gennaro, M.L, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-05-01 | Release date: | 2002-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of a major secreted protein of Mycobacterium tuberculosis-MPT63 at
1.5-A resolution Protein Sci., 11, 2002
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1HOY
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![BU of 1hoy by Molmil](/molmil-images/mine/1hoy) | NMR STRUCTURE OF THE COMPLEX BETWEEN A-BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | Descriptor: | LONG NEUROTOXIN 1, MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | Authors: | Scarselli, M, Spiga, O, Ciutti, A, Bracci, L, Lelli, B, Lozzi, L, Calamandrei, D, Bernini, A, Di Maro, D, Niccolai, N, Neri, P. | Deposit date: | 2000-12-12 | Release date: | 2000-12-27 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor. Biochemistry, 41, 2002
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1M7K
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![BU of 1m7k by Molmil](/molmil-images/mine/1m7k) | Solution Structure of the SODD BAG Domain | Descriptor: | Silencer of Death Domains | Authors: | Brockmann, C, Leitner, D, Labudde, D, Diehl, A, Sievert, V, Buessow, K, Oschkinat, H. | Deposit date: | 2002-07-22 | Release date: | 2002-08-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure of the SODD BAG domain reveals additional electrostatic interactions in the HSP70 complexes of SODD subfamily BAG domains Febs Lett., 558, 2004
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2FBW
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![BU of 2fbw by Molmil](/molmil-images/mine/2fbw) | Avian respiratory complex II with carboxin bound | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | Authors: | Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | Deposit date: | 2005-12-10 | Release date: | 2005-12-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | 3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme. J.Biol.Chem., 281, 2006
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6TIB
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6TTG
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![BU of 6ttg by Molmil](/molmil-images/mine/6ttg) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... | Authors: | Welin, M, Kimbung, R, Focht, D. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens. Eur.J.Med.Chem., 213, 2021
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