2I0H
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![BU of 2i0h by Molmil](/molmil-images/mine/2i0h) | The structure of p38alpha in complex with an arylpyridazinone | Descriptor: | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14 | Authors: | Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J. | Deposit date: | 2006-08-10 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design. Bioorg.Med.Chem.Lett., 16, 2006
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2I2X
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![BU of 2i2x by Molmil](/molmil-images/mine/2i2x) | Crystal structure of methanol:cobalamin methyltransferase complex MtaBC from Methanosarcina barkeri | Descriptor: | 5-HYDROXYBENZIMIDAZOLYLCOB(III)AMIDE, Methyltransferase 1, POTASSIUM ION, ... | Authors: | Hagemeier, C.H, Kruer, M, Thauer, R.K, Warkentin, E, Ermler, U. | Deposit date: | 2006-08-17 | Release date: | 2006-11-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into the mechanism of biological methanol activation based on the crystal structure of the methanol-cobalamin methyltransferase complex Proc.Natl.Acad.Sci.Usa, 103, 2006
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5FGF
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![BU of 5fgf by Molmil](/molmil-images/mine/5fgf) | |
6BG1
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![BU of 6bg1 by Molmil](/molmil-images/mine/6bg1) | Caspase-3 Mutant - D9A,D28A,S150E | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | Deposit date: | 2017-10-27 | Release date: | 2018-02-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
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1PI1
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![BU of 1pi1 by Molmil](/molmil-images/mine/1pi1) | Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways. | Descriptor: | Mob1A, ZINC ION | Authors: | Stavridi, E.S, Harris, K.G, Huyen, Y, Bothos, J, Voewerd, P.M, Stayrook, S.E, Jeffrey, P.D, Pavletich, N.P, Luca, F.C. | Deposit date: | 2003-05-29 | Release date: | 2003-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a human mob1 protein. Toward understanding mob-regulated cell cycle pathways. Structure, 11, 2003
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5JBM
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![BU of 5jbm by Molmil](/molmil-images/mine/5jbm) | Crystal structgure of Cac1 C-terminus | Descriptor: | Chromatin assembly factor 1 subunit p90 | Authors: | Churchill, M.E.A, Liu, W, Zhou, Y. | Deposit date: | 2016-04-13 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Cac1 subunit of histone chaperone CAF-1 organizes CAF-1-H3/H4 architecture and tetramerizes histones. Elife, 5, 2016
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5M5B
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![BU of 5m5b by Molmil](/molmil-images/mine/5m5b) | Crystal structure of Zika virus NS5 methyltransferase | Descriptor: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | Authors: | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | Deposit date: | 2016-10-21 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives. J. Virol., 91, 2017
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5LC8
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![BU of 5lc8 by Molmil](/molmil-images/mine/5lc8) | Crystal Structure of specific mutant from Pseudomonas aeruginosa Lipoxygenase at 1.8A resolution | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P. | Deposit date: | 2016-06-20 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity. Biochim. Biophys. Acta, 1862, 2017
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2NC3
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![BU of 2nc3 by Molmil](/molmil-images/mine/2nc3) | Solution Structure of N-Allosylated Pin1 WW Domain | Descriptor: | Pin1 WW Domain, beta-D-allopyranose | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | Deposit date: | 2016-03-20 | Release date: | 2016-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate. J.Am.Chem.Soc., 138, 2016
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1FFN
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![BU of 1ffn by Molmil](/molmil-images/mine/1ffn) | CRYSTAL STRUCTURE OF MURINE CLASS I H-2DB COMPLEXED WITH PEPTIDE GP33(C9M) | Descriptor: | BETA-2 MICROGLOBULIN, BETA CHAIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Wang, B, Sharma, A, Maile, R, Saad, M, Collins, E.J, Frelinger, J.A. | Deposit date: | 2000-07-25 | Release date: | 2002-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Peptidic termini play a significant role in TCR recognition J.IMMUNOL., 169, 2002
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6B1Z
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![BU of 6b1z by Molmil](/molmil-images/mine/6b1z) | |
2J9K
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![BU of 2j9k by Molmil](/molmil-images/mine/2j9k) | Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101 | Descriptor: | ACETATE ION, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ... | Authors: | Malito, E, Shen, Y, Johnson, E.C.B, Tang, W.J. | Deposit date: | 2006-11-11 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Insights from Atomic-Resolution X-Ray Structures of Chemically Synthesized HIV-1 Protease in Complex with Inhibitors. J.Mol.Biol., 373, 2007
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2NOX
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![BU of 2nox by Molmil](/molmil-images/mine/2nox) | Crystal structure of tryptophan 2,3-dioxygenase from Ralstonia metallidurans | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Zhang, Y, Kang, S.A, Mukherjee, T, Bale, S, Crane, B.R, Begley, T.P, Ealick, S.E. | Deposit date: | 2006-10-26 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and mechanism of tryptophan 2,3-dioxygenase, a heme enzyme involved in tryptophan catabolism and in quinolinate biosynthesis. Biochemistry, 46, 2007
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5LKT
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![BU of 5lkt by Molmil](/molmil-images/mine/5lkt) | Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A. | Descriptor: | Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-24 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5LKZ
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![BU of 5lkz by Molmil](/molmil-images/mine/5lkz) | Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A. | Descriptor: | CROTONYL COENZYME A, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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8B0K
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![BU of 8b0k by Molmil](/molmil-images/mine/8b0k) | Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli (Apo form) | Descriptor: | Apolipoprotein N-acyltransferase | Authors: | Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M. | Deposit date: | 2022-09-07 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase. Sci Adv, 9, 2023
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8AFZ
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![BU of 8afz by Molmil](/molmil-images/mine/8afz) | Architecture of the ESCPE-1 membrane coat | Descriptor: | Cation-independent mannose-6-phosphate receptor, Sorting nexin-1, Sorting nexin-5 | Authors: | Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E, Ishida, M, Williamsom, C.D, Banos-Mateos, S, Gil-Carton, D, Romero, M, Vidaurrazaga, A, Fernandez-Recio, J, Rojas, A.L, Bonifacino, J.S, Castano-Diez, D, Hierro, A. | Deposit date: | 2022-07-18 | Release date: | 2023-06-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Architecture of the ESCPE-1 membrane coat. Nat.Struct.Mol.Biol., 30, 2023
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5WIK
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![BU of 5wik by Molmil](/molmil-images/mine/5wik) | JAK2 Pseudokinase in complex with BI-D1870 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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3X1O
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![BU of 3x1o by Molmil](/molmil-images/mine/3x1o) | Crystal structure of the ROQ domain of human Roquin | Descriptor: | IODIDE ION, Roquin-1 | Authors: | Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y. | Deposit date: | 2014-11-26 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis Nat Commun, 6, 2015
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5WIM
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![BU of 5wim by Molmil](/molmil-images/mine/5wim) | JAK2 Pseudokinase in complex with AT9283 | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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5WIJ
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![BU of 5wij by Molmil](/molmil-images/mine/5wij) | JAK2 Pseudokinase in complex with NU6140 | Descriptor: | 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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1RK8
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![BU of 1rk8 by Molmil](/molmil-images/mine/1rk8) | Structure of the cytosolic protein PYM bound to the Mago-Y14 core of the exon junction complex | Descriptor: | CALCIUM ION, CG8781-PA protein, Mago nashi protein, ... | Authors: | Bono, F, Ebert, J, Guettler, T, Izaurralde, E, Conti, E. | Deposit date: | 2003-11-21 | Release date: | 2004-04-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular insights into the interaction of PYM with
the Mago-Y14 core of the exon junction complex EMBO Rep., 5, 2004
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2BGD
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![BU of 2bgd by Molmil](/molmil-images/mine/2bgd) | Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors | Descriptor: | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J. | Deposit date: | 2004-12-21 | Release date: | 2005-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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3K3B
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![BU of 3k3b by Molmil](/molmil-images/mine/3k3b) | Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline | Descriptor: | 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Bussiere, D.E, Bellamacina, C, Le, V. | Deposit date: | 2009-10-02 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5. Bioorg.Med.Chem.Lett., 20, 2010
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2IVD
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![BU of 2ivd by Molmil](/molmil-images/mine/2ivd) | Structure of protoporphyrinogen oxidase from Myxococcus xanthus with acifluorfen | Descriptor: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Corradi, H.R, Corrigall, A.V, Boix, E, Mohan, C.G, Sturrock, E.D, Meissner, P.N, Acharya, K.R. | Deposit date: | 2006-06-12 | Release date: | 2006-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Protoporphyrinogen Oxidase from Myxococcus Xanthus and its Complex with the Inhibitor Acifluorfen. J.Biol.Chem., 281, 2006
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