4PYM
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![BU of 4pym by Molmil](/molmil-images/mine/4pym) | humanized rat apo-COMT bound to sulphate | Descriptor: | Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PZF
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![BU of 4pzf by Molmil](/molmil-images/mine/4pzf) | Berberine bridge enzyme G164A variant, a reticuline dehydrogenase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ... | Authors: | Zafred, D, Wallner, S, Steiner, B, Macheroux, P. | Deposit date: | 2014-03-30 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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4Q6P
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![BU of 4q6p by Molmil](/molmil-images/mine/4q6p) | Structural analysis of the Zn-form I of Helicobacter pylori Csd4, a D,L-carboxypeptidase | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ... | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | Deposit date: | 2014-04-23 | Release date: | 2014-11-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape Acta Crystallogr.,Sect.D, 70, 2014
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5OMG
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![BU of 5omg by Molmil](/molmil-images/mine/5omg) | p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 | Descriptor: | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-07-31 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors. Biochem.Biophys.Res.Commun., 511, 2019
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4QM1
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![BU of 4qm1 by Molmil](/molmil-images/mine/4qm1) | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67 | Descriptor: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Mandapati, K, Gollapalli, D, Gorla, S.K, Zhang, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-06-14 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7964 Å) | Cite: | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67 To be Published, 2014
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4QKZ
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![BU of 4qkz by Molmil](/molmil-images/mine/4qkz) | X-ray structure of the catalytic domain of MMP-8 with the inhibitor ML115 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Montanari, R, Capelli, D, Tortorella, P. | Deposit date: | 2014-06-10 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy. Pharmaceuticals, 13, 2020
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4PVG
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4PVJ
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![BU of 4pvj by Molmil](/molmil-images/mine/4pvj) | Phl p 4 I153V variant, a glucose oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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4PXN
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![BU of 4pxn by Molmil](/molmil-images/mine/4pxn) | Structure of Zm ALDH7 in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Uncharacterized protein | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2014-03-24 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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4NF1
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![BU of 4nf1 by Molmil](/molmil-images/mine/4nf1) | Structure of N-acetyltransferase domain of X. fastidiosa NAGS/K without his-tag | Descriptor: | Acetylglutamate kinase, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D. | Deposit date: | 2013-10-30 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3986 Å) | Cite: | Structures of the N-acetyltransferase domain of Xylella fastidiosaN-acetyl-L-glutamate synthase/kinase with and without a His tag bound to N-acetyl-L-glutamate. Acta Crystallogr F Struct Biol Commun, 71, 2015
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4RS7
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4RVI
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![BU of 4rvi by Molmil](/molmil-images/mine/4rvi) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2014-11-26 | Release date: | 2016-05-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1 To be Published
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4S0K
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![BU of 4s0k by Molmil](/molmil-images/mine/4s0k) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79V, and 123A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
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4S02
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![BU of 4s02 by Molmil](/molmil-images/mine/4s02) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, F42W, Y79A, and F123Y mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-30 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
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4TQ9
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![BU of 4tq9 by Molmil](/molmil-images/mine/4tq9) | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-06-10 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
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5RHD
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![BU of 5rhd by Molmil](/molmil-images/mine/5rhd) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193) | Descriptor: | 1-[4-(methylsulfonyl)phenyl]piperazine, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-05-16 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4TTR
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4NAR
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![BU of 4nar by Molmil](/molmil-images/mine/4nar) | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152 | Descriptor: | ACETATE ION, Putative uronate isomerase, SULFATE ION | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Chi, Y, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-22 | Release date: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. To be Published
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4NEY
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![BU of 4ney by Molmil](/molmil-images/mine/4ney) | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-30 | Release date: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.323 Å) | Cite: | Northeast Structural Genomics Consortium Target OR277 To be published
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4QOZ
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4QI0
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![BU of 4qi0 by Molmil](/molmil-images/mine/4qi0) | X-ray structure of the ROQ domain from murine Roquin-1 | Descriptor: | 1,2-ETHANEDIOL, Roquin-1 | Authors: | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | Deposit date: | 2014-05-30 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation. Nat.Struct.Mol.Biol., 21, 2014
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4QIK
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4RXW
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![BU of 4rxw by Molmil](/molmil-images/mine/4rxw) | |
4M4P
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![BU of 4m4p by Molmil](/molmil-images/mine/4m4p) | Crystal structure of EPHA4 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-A receptor 4 | Authors: | Xu, K, Tsvetkova-Robev, D, Xu, Y, Goldgur, Y, Chan, Y.-P, Himanen, J.P, Nikolov, D.B. | Deposit date: | 2013-08-07 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.081 Å) | Cite: | Insights into Eph receptor tyrosine kinase activation from crystal structures of the EphA4 ectodomain and its complex with ephrin-A5. Proc.Natl.Acad.Sci.USA, 110, 2013
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4QTP
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![BU of 4qtp by Molmil](/molmil-images/mine/4qtp) | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis | Descriptor: | 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ... | Authors: | Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-07-08 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis TO BE PUBLISHED
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