3ZYA
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![BU of 3zya by Molmil](/molmil-images/mine/3zya) | Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone | Descriptor: | 2-AMINO-PHENYLAMINO-DIBENZOSUBERONE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Romir, J, Koeberle, S.C, Laufer, S.A, Stehle, T. | Deposit date: | 2011-08-18 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Skepinone-L is a Selective P38 Mitogen-Activated Protein Kinase Inhibitor. Nat.Chem.Biol., 8, 2011
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2Q7Z
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![BU of 2q7z by Molmil](/molmil-images/mine/2q7z) | Solution Structure of the 30 SCR domains of human Complement Receptor 1 | Descriptor: | Complement receptor type 1 | Authors: | Furtado, P.B, Huang, C.Y, Ihyembe, D, Hammond, R.A, Marsh, H.C, Perkins, S.J. | Deposit date: | 2007-06-08 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | SOLUTION SCATTERING | Cite: | The Partly Folded Back Solution Structure Arrangement of the 30 SCR Domains in Human Complement Receptor Type 1 (CR1) Permits Access to its C3b and C4b Ligands J.Mol.Biol., 375, 2008
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2WWV
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![BU of 2wwv by Molmil](/molmil-images/mine/2wwv) | NMR structure of the IIAchitobiose-IIBchitobiose complex of the N,N'- diacetylchitoboise brance of the E. coli phosphotransferase system. | Descriptor: | N,N'-DIACETYLCHITOBIOSE-SPECIFIC PHOSPHOTRANSFERASE ENZYME IIA COMPONENT, N,N'-DIACETYLCHITOBIOSE-SPECIFIC PHOSPHOTRANSFERASE ENZYME IIB COMPONENT | Authors: | Sang, Y.S, Cai, M, Clore, G.M. | Deposit date: | 2009-10-29 | Release date: | 2009-12-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Iiachitobose-Iibchitobiose Complex of the N,N'-Diacetylchitobiose Branch of the Escherichia Coli Phosphotransfer System J.Biol.Chem., 285, 2010
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3ROC
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![BU of 3roc by Molmil](/molmil-images/mine/3roc) | Crystal structure of human p38 alpha complexed with a pyrimidinone compound | Descriptor: | 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Xing, L. | Deposit date: | 2011-04-25 | Release date: | 2011-06-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2WMZ
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![BU of 2wmz by Molmil](/molmil-images/mine/2wmz) | Structure of a mutated TolC | Descriptor: | CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC, SODIUM ION, ... | Authors: | Hinchliffe, P, Pei, X.Y, Symmons, M.F, Koronakis, E, Hughes, C, Koronakis, V. | Deposit date: | 2009-07-03 | Release date: | 2011-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of Sequential Open States in a Symmetrical Opening Transition of the Tolc Exit Duct. Proc.Natl.Acad.Sci.USA, 108, 2011
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2AO6
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![BU of 2ao6 by Molmil](/molmil-images/mine/2ao6) | Crystal structure of the human androgen receptor ligand binding domain bound with TIF2(iii) 740-753 peptide and R1881 | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, 14-mer fragment of Nuclear receptor coactivator 2, androgen receptor | Authors: | He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M. | Deposit date: | 2005-08-12 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance Mol.Cell, 16, 2004
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3NWW
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![BU of 3nww by Molmil](/molmil-images/mine/3nww) | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-07-12 | Release date: | 2010-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3O36
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3NNU
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![BU of 3nnu by Molmil](/molmil-images/mine/3nnu) | Crystal structure of P38 alpha in complex with DP1376 | Descriptor: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3S0D
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![BU of 3s0d by Molmil](/molmil-images/mine/3s0d) | Apis mellifera OBP 14 in complex with the citrus odorant citralva (3,7-dimethylocta-2,6-dienenitrile) | Descriptor: | (2Z)-3,7-dimethylocta-2,6-dienenitrile, OBP14 | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | Deposit date: | 2011-05-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules. Insect Biochem.Mol.Biol., 42, 2012
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3S4Q
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![BU of 3s4q by Molmil](/molmil-images/mine/3s4q) | P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor | Descriptor: | 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2011-05-20 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4I8V
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![BU of 4i8v by Molmil](/molmil-images/mine/4i8v) | |
4UUY
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![BU of 4uuy by Molmil](/molmil-images/mine/4uuy) | Structural Identification of the Vps18 beta-propeller reveals a critical role in the HOPS complex stability and function. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Behrmann, H, Gohlke, U, Heinemann, U. | Deposit date: | 2014-08-01 | Release date: | 2014-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Identification of the Vps18 Beta-Propeller Reveals a Critical Role in the Hops Complex Stability and Function. J.Biol.Chem., 289, 2014
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4HW9
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![BU of 4hw9 by Molmil](/molmil-images/mine/4hw9) | Crystal Structure of Helicobacter pylori MscS (Closed State) | Descriptor: | Mechanosensitive channel MscS | Authors: | Lai, J.Y, Poon, Y.S, Kaiser, J, Rees, D.C. | Deposit date: | 2012-11-07 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.14 Å) | Cite: | Open and shut: crystal structures of the dodecylmaltoside solubilized mechanosensitive channel of small conductance from Escherichia coli and Helicobacter pylori at 4.4 angstrom and 4.1 angstrom resolutions. Protein Sci., 22, 2013
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4W5Z
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5U0P
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![BU of 5u0p by Molmil](/molmil-images/mine/5u0p) | Cryo-EM structure of the transcriptional Mediator | Descriptor: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | Authors: | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | Deposit date: | 2016-11-26 | Release date: | 2017-03-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Mediator structure and rearrangements required for holoenzyme formation. Nature, 544, 2017
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4IDW
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![BU of 4idw by Molmil](/molmil-images/mine/4idw) | Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy | Descriptor: | Insulin A chain, Insulin B chain, ZINC ION | Authors: | Margiolaki, I, Giannopoulou, A.E, Wright, J.P, Knight, L, Norrman, M, Schluckebier, G, Fitch, A, Von Dreele, R.B. | Deposit date: | 2012-12-13 | Release date: | 2013-06-05 | Method: | POWDER DIFFRACTION | Cite: | High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin Acta Crystallogr.,Sect.D, 69, 2013
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4V2V
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![BU of 4v2v by Molmil](/molmil-images/mine/4v2v) | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA | Descriptor: | CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Chowdhury, R, Madden, S.K, Schofield, C.J. | Deposit date: | 2014-10-15 | Release date: | 2014-11-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates. Epigenetics, 9, 2014
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7Q5X
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![BU of 7q5x by Molmil](/molmil-images/mine/7q5x) | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2. Proteins, 91, 2023
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4WTH
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![BU of 4wth by Molmil](/molmil-images/mine/4wth) | Ataxin-3 Carboxy Terminal Region - Crystal C2 (triclinic) | Descriptor: | Maltose-binding periplasmic protein, Ataxin-3 chimera, ZINC ION, ... | Authors: | Zhemkov, V.A, Kim, M. | Deposit date: | 2014-10-30 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The 2.2-Angstrom resolution crystal structure of the carboxy-terminal region of ataxin-3. FEBS Open Bio, 6, 2016
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4X4E
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4ISO
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![BU of 4iso by Molmil](/molmil-images/mine/4iso) | Crystal Structure of Matriptase in complex with its inhibitor HAI-1 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTATHIONE, GLYCEROL, ... | Authors: | Huang, M.D, Zhao, B.Y, Yuan, C, Li, R. | Deposit date: | 2013-01-16 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1. J.Biol.Chem., 288, 2013
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4X81
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![BU of 4x81 by Molmil](/molmil-images/mine/4x81) | MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate) | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4WKF
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![BU of 4wkf by Molmil](/molmil-images/mine/4wkf) | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-02 | Release date: | 2015-07-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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4G7L
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![BU of 4g7l by Molmil](/molmil-images/mine/4g7l) | Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2 | Descriptor: | FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | Deposit date: | 2012-07-20 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis. Biochemistry, 51, 2012
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