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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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5VG1
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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