4G99
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![BU of 4g99 by Molmil](/molmil-images/mine/4g99) | Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K | Descriptor: | CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | Deposit date: | 2012-07-23 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 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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4X7W
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![BU of 4x7w by Molmil](/molmil-images/mine/4x7w) | MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate) | Descriptor: | MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, Mycinamicin VI, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 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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4ISL
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![BU of 4isl by Molmil](/molmil-images/mine/4isl) | Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1 | Descriptor: | GLUTATHIONE, GLYCEROL, Kunitz-type protease inhibitor 1, ... | 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 (2.29 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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4WO1
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![BU of 4wo1 by Molmil](/molmil-images/mine/4wo1) | Crystal structure of the DAP12 transmembrane domain in lipid cubic phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein | Authors: | Call, M.J, Call, M.E, Knoblich, K. | Deposit date: | 2014-10-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly. Cell Rep, 11, 2015
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4G8W
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![BU of 4g8w by Molmil](/molmil-images/mine/4g8w) | Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser on | Descriptor: | FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | Deposit date: | 2012-07-23 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 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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4GJZ
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![BU of 4gjz by Molmil](/molmil-images/mine/4gjz) | JMJD5 in complex with 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, BETA-MERCAPTOETHANOL, COBALT (II) ION, ... | Authors: | Del Rizzo, P.A, Trievel, R.C. | Deposit date: | 2012-08-10 | Release date: | 2012-09-05 | Last modified: | 2012-11-14 | Method: | X-RAY DIFFRACTION (1.0481 Å) | Cite: | Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function. Mol.Cell.Biol., 32, 2012
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4JLT
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![BU of 4jlt by Molmil](/molmil-images/mine/4jlt) | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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5W0S
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![BU of 5w0s by Molmil](/molmil-images/mine/5w0s) | GroEL using cryoEM | Descriptor: | 60 kDa chaperonin | Authors: | Roh, S.H, Chiu, W. | Deposit date: | 2017-05-31 | Release date: | 2017-08-09 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Subunit conformational variation within individual GroEL oligomers resolved by Cryo-EM. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4G7T
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![BU of 4g7t by Molmil](/molmil-images/mine/4g7t) | Rat Heme Oxygenase-1 in complex with Heme and CO with 1 hr Illumination: Laser on | Descriptor: | CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... | 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 (1.9 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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4G98
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![BU of 4g98 by Molmil](/molmil-images/mine/4g98) | Rat Heme Oxygenase-1 in complex with Heme and CO at 100K | Descriptor: | CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | Deposit date: | 2012-07-23 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 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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4G8U
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![BU of 4g8u by Molmil](/molmil-images/mine/4g8u) | Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser off | Descriptor: | FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | Deposit date: | 2012-07-23 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 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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4X7I
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![BU of 4x7i by Molmil](/molmil-images/mine/4x7i) | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | Descriptor: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | Authors: | Timm, D.E. | Deposit date: | 2014-12-09 | Release date: | 2014-12-24 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans. J.Neurosci., 35, 2015
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5W18
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![BU of 5w18 by Molmil](/molmil-images/mine/5w18) | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2017-06-02 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Ureadepsipeptides as ClpP Activators. Acs Infect Dis., 2019
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4G7P
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![BU of 4g7p by Molmil](/molmil-images/mine/4g7p) | Rat Heme Oxygenase-1 in complex with Heme and CO with 1 hr Illumination at 100 K: Laser off | Descriptor: | CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... | 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 (1.9 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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4G8P
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![BU of 4g8p by Molmil](/molmil-images/mine/4g8p) | Rat Heme Oxygenase-1 in complex with Heme and CO with 16 hr Illumination: Laser on | Descriptor: | CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... | Authors: | Sugishima, M, Moffat, K, Noguchi, M. | Deposit date: | 2012-07-23 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 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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4DUE
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![BU of 4due by Molmil](/molmil-images/mine/4due) | cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9C6 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
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5UOJ
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![BU of 5uoj by Molmil](/molmil-images/mine/5uoj) | |
5VG1
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![BU of 5vg1 by Molmil](/molmil-images/mine/5vg1) | |
5VGI
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![BU of 5vgi by Molmil](/molmil-images/mine/5vgi) | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | Hosfield, D.J. | Deposit date: | 2017-04-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, 8, 2017
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7Q21
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![BU of 7q21 by Molmil](/molmil-images/mine/7q21) | III2-IV2 respiratory supercomplex from Corynebacterium glutamicum | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P. | Deposit date: | 2021-10-22 | Release date: | 2022-02-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The respiratory supercomplex from C. glutamicum. Structure, 30, 2022
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5WJJ
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![BU of 5wjj by Molmil](/molmil-images/mine/5wjj) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-07-23 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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4FGX
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![BU of 4fgx by Molmil](/molmil-images/mine/4fgx) | Crystal structure of bace1 with novel inhibitor | Descriptor: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2012-06-05 | Release date: | 2013-01-16 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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4KCP
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![BU of 4kcp by Molmil](/molmil-images/mine/4kcp) | Structure of bovine endotheial nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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4JYT
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![BU of 4jyt by Molmil](/molmil-images/mine/4jyt) | Crystal Structure of Matriptase in complex with Inhibitor | Descriptor: | 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-01 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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4H23
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![BU of 4h23 by Molmil](/molmil-images/mine/4h23) | Cytochrome P411BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
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