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4G99
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Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4X7W
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MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
分子名称: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, Mycinamicin VI, ...
著者Bernard, S.M, Smith, J.L.
登録日2014-12-09
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4ISL
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Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1
分子名称: GLUTATHIONE, GLYCEROL, Kunitz-type protease inhibitor 1, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4WO1
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Crystal structure of the DAP12 transmembrane domain in lipid cubic phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein
著者Call, M.J, Call, M.E, Knoblich, K.
登録日2014-10-15
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly.
Cell Rep, 11, 2015
4G8W
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Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser on
分子名称: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4GJZ
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JMJD5 in complex with 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, BETA-MERCAPTOETHANOL, COBALT (II) ION, ...
著者Del Rizzo, P.A, Trievel, R.C.
登録日2012-08-10
公開日2012-09-05
最終更新日2012-11-14
実験手法X-RAY DIFFRACTION (1.0481 Å)
主引用文献Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function.
Mol.Cell.Biol., 32, 2012
4JLT
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Crystal structure of P450 2B4(H226Y) in complex with paroxetine
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2013-03-13
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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
5W0S
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GroEL using cryoEM
分子名称: 60 kDa chaperonin
著者Roh, S.H, Chiu, W.
登録日2017-05-31
公開日2017-08-09
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Subunit conformational variation within individual GroEL oligomers resolved by Cryo-EM.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4G7T
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Rat Heme Oxygenase-1 in complex with Heme and CO with 1 hr Illumination: Laser on
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-20
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4G98
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Rat Heme Oxygenase-1 in complex with Heme and CO at 100K
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4G8U
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BU of 4g8u by Molmil
Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser off
分子名称: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4X7I
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Crystal Structure of BACE with amino thiazine inhibitor LY2886721
分子名称: 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
著者Timm, D.E.
登録日2014-12-09
公開日2014-12-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
5W18
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BU of 5w18 by Molmil
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
分子名称: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
著者Lee, R.E, Griffith, E.C.
登録日2017-06-02
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
4G7P
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Rat Heme Oxygenase-1 in complex with Heme and CO with 1 hr Illumination at 100 K: Laser off
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-20
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4G8P
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BU of 4g8p by Molmil
Rat Heme Oxygenase-1 in complex with Heme and CO with 16 hr Illumination: Laser on
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4DUE
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BU of 4due by Molmil
cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9C6
著者Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
登録日2012-02-21
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
5UOJ
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BU of 5uoj by Molmil
THE STRUCTURE OF THE MAP KINASE P38 AT 2.1 ANGSTROMS RESOLUTION
分子名称: Mitogen-activated protein kinase 14
著者CHLEBOWICZ, J, WANG, Z, GOLDSMITH, E.J.
登録日2017-01-31
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of mitogen-activated protein kinase p38 at 2.1-A resolution.
Proc. Natl. Acad. Sci. U.S.A., 94, 1997
5VG1
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BU of 5vg1 by Molmil
Neutron crystallographic structure of a Jonesia denitrificans lytic polysaccharide monooxygenase
分子名称: COPPER (II) ION, Chitinase, PEROXIDE ION
著者Bacik, J.-P, Unkefer, C.J, Chen, J.C.H.
登録日2017-04-10
公開日2017-05-24
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation.
Biochemistry, 56, 2017
5VGI
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BU of 5vgi by Molmil
Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352
分子名称: 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, ...
著者Hosfield, D.J.
登録日2017-04-11
公開日2017-09-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
7Q21
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BU of 7q21 by Molmil
III2-IV2 respiratory supercomplex from Corynebacterium glutamicum
分子名称: (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, ...
著者Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P.
登録日2021-10-22
公開日2022-02-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The respiratory supercomplex from C. glutamicum.
Structure, 30, 2022
5WJJ
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
分子名称: 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
著者Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
登録日2017-07-23
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
4FGX
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Crystal structure of bace1 with novel inhibitor
分子名称: 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, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献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
4KCP
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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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2013-04-24
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4H23
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Cytochrome P411BM3-CIS cyclopropanation catalyst
分子名称: Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE
著者Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M.
登録日2012-09-11
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo.
Nat.Chem.Biol., 9, 2013
4JYT
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Crystal Structure of Matriptase in complex with Inhibitor
分子名称: 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
著者Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
登録日2013-04-01
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013

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