4XG8
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![BU of 4xg8 by Molmil](/molmil-images/mine/4xg8) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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6QXJ
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![BU of 6qxj by Molmil](/molmil-images/mine/6qxj) | Structure of MBP-Mcl-1 in complex with compound 6a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-07 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5HTD
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![BU of 5htd by Molmil](/molmil-images/mine/5htd) | Recombinant bovine beta-lactoglobulin variant L1A/I2S with endogenous ligand (sBlgB#1) | Descriptor: | Beta-lactoglobulin, MYRISTIC ACID | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | Deposit date: | 2016-01-26 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation. Mol Biotechnol., 58, 2016
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4XA1
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![BU of 4xa1 by Molmil](/molmil-images/mine/4xa1) | Crystal Structure of the coiled-coil surrounding Skip 1 of MYH7 | Descriptor: | Gp7-MYH7(1173-1238)-EB1 chimera protein | Authors: | Taylor, K.C, Buvoli, M, Korkmaz, E.N, Buvoli, A, Zheng, Y, Heinz, N.T, Qiang, C, Leinwand, L.A, Rayment, I. | Deposit date: | 2014-12-12 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Skip residues modulate the structural properties of the myosin rod and guide thick filament assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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6KIQ
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![BU of 6kiq by Molmil](/molmil-images/mine/6kiq) | Complex of yeast cytoplasmic dynein MTBD-High and MT with DTT | Descriptor: | Alpha tubulin, Dynein heavy chain, cytoplasmic, ... | Authors: | Komori, Y, Nishida, N, Shimada, I, Kikkawa, M. | Deposit date: | 2019-07-19 | Release date: | 2020-03-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis for two-way communication between dynein and microtubules. Nat Commun, 11, 2020
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4FZ0
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![BU of 4fz0 by Molmil](/molmil-images/mine/4fz0) | |
6HAR
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![BU of 6har by Molmil](/molmil-images/mine/6har) | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | Deposit date: | 2018-08-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
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2Z4F
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![BU of 2z4f by Molmil](/molmil-images/mine/2z4f) | Solution structure of the Discoidin Domain of DDR2 | Descriptor: | Discoidin domain-containing receptor 2 | Authors: | Ichikawa, O, Osawa, M, Nishida, N, Goshima, N, Nomura, N, Shimada, I. | Deposit date: | 2007-06-16 | Release date: | 2007-09-04 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Structural basis of the collagen-binding mode of discoidin domain receptor 2 Embo J., 26, 2007
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4G6A
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![BU of 4g6a by Molmil](/molmil-images/mine/4g6a) | |
5HOZ
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![BU of 5hoz by Molmil](/molmil-images/mine/5hoz) | |
4XAP
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![BU of 4xap by Molmil](/molmil-images/mine/4xap) | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 | Descriptor: | Aldo-keto reductase | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-15 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 to be published
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4XOU
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![BU of 4xou by Molmil](/molmil-images/mine/4xou) | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | Deposit date: | 2015-01-16 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser. Iucrj, 2, 2015
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6HXA
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![BU of 6hxa by Molmil](/molmil-images/mine/6hxa) | AntI from P. luminescens catalyses terminal polyketide shortening in the biosynthesis of anthraquinones | Descriptor: | AntI, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | Authors: | Zhou, Q, Braeuer, A, Grammbitter, G, Schmalhofer, M, Saura, P, Adihou, H, Kaila, V.R.I, Groll, M, Bode, H. | Deposit date: | 2018-10-16 | Release date: | 2019-08-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular mechanism of polyketide shortening in anthraquinone biosynthesis ofPhotorhabdus luminescens. Chem Sci, 10, 2019
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5HTE
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![BU of 5hte by Molmil](/molmil-images/mine/5hte) | Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2) | Descriptor: | Beta-lactoglobulin | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | Deposit date: | 2016-01-26 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation. Mol Biotechnol., 58, 2016
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6KEI
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![BU of 6kei by Molmil](/molmil-images/mine/6kei) | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | Descriptor: | 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Lee, B.I, Park, T.H. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research. Molecules, 26, 2021
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4FUQ
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![BU of 4fuq by Molmil](/molmil-images/mine/4fuq) | Crystal structure of apo MatB from Rhodopseudomonas palustris | Descriptor: | GLYCEROL, Malonyl CoA synthetase, SULFATE ION | Authors: | Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2012-06-28 | Release date: | 2012-07-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structure-Guided Expansion of the Substrate Range of Methylmalonyl Coenzyme A Synthetase (MatB) of Rhodopseudomonas palustris. Appl.Environ.Microbiol., 78, 2012
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4G7G
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![BU of 4g7g by Molmil](/molmil-images/mine/4g7g) | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)] | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | Deposit date: | 2012-07-20 | Release date: | 2013-07-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis. J Infect Dis, 212, 2015
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6KLK
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![BU of 6klk by Molmil](/molmil-images/mine/6klk) | |
4XPX
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![BU of 4xpx by Molmil](/molmil-images/mine/4xpx) | Crystal structure of hemerythrin:wild-type | Descriptor: | Bacteriohemerythrin, FE (II) ION | Authors: | Chuankhayan, P, Chen, K.H.C, Wu, H.H, Chen, C.J, Fukuda, M, Yu, S.S.F, Chan, S.I. | Deposit date: | 2015-01-18 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel. J.Inorg.Biochem., 150, 2015
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6KIO
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![BU of 6kio by Molmil](/molmil-images/mine/6kio) | Complex of yeast cytoplasmic dynein MTBD-High and MT without DTT | Descriptor: | Dynein heavy chain, cytoplasmic, Tubulin alpha-1A chain, ... | Authors: | Komori, Y, Nishida, N, Shimada, I, Kikkawa, M. | Deposit date: | 2019-07-19 | Release date: | 2020-03-04 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Structural basis for two-way communication between dynein and microtubules. Nat Commun, 11, 2020
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4G3J
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![BU of 4g3j by Molmil](/molmil-images/mine/4g3j) | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)] | Descriptor: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | Deposit date: | 2012-07-14 | Release date: | 2013-07-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis. J Infect Dis, 212, 2015
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5HVN
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![BU of 5hvn by Molmil](/molmil-images/mine/5hvn) | 3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD. | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Zhou, M, Grimshaw, S, Kwon, K, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-28 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD. To Be Published
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4X9O
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![BU of 4x9o by Molmil](/molmil-images/mine/4x9o) | Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 | Authors: | Hou, J, Cooper, D.R, Shabalin, I.G, Grabowski, M, Shumilin, I, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-11 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae to be published
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4XG3
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![BU of 4xg3 by Molmil](/molmil-images/mine/4xg3) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XHY
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![BU of 4xhy by Molmil](/molmil-images/mine/4xhy) | NADH:FMN oxidoreductase from Paracoccus denitrificans | Descriptor: | Flavin reductase domain protein, FMN-binding protein | Authors: | Sedlacek, V, Klumpler, T, Marek, J, Kucera, I. | Deposit date: | 2015-01-06 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Biochemical properties and crystal structure of the flavin reductase FerA from Paracoccus denitrificans. Microbiol. Res., 188-189, 2016
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