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3HHS
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BU of 3hhs by Molmil
Crystal Structure of Manduca sexta prophenoloxidase
分子名称: COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2
著者Li, Y, Wang, Y, Jiang, H, Deng, J.
登録日2009-05-17
公開日2009-09-29
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Proc.Natl.Acad.Sci.USA, 106, 2009
4ZTH
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BU of 4zth by Molmil
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Roy, S.M, Watterson, D.M.
登録日2015-05-14
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
4XRZ
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BU of 4xrz by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ...
著者Johnson, E.F, Fan, Y.
登録日2015-01-21
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
5ARI
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BU of 5ari by Molmil
Bovine mitochondrial ATP synthase state 2b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-24
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
6B82
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BU of 6b82 by Molmil
Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
分子名称: ACETATE ION, Abiraterone, CHLORIDE ION, ...
著者Pallan, P.S, Egli, M.
登録日2017-10-05
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
5ARE
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BU of 5are by Molmil
Bovine mitochondrial ATP synthase state 1b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-24
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
3NCL
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BU of 3ncl by Molmil
Crystal Structure of MT-SP1 bound to Benzamidine Phosphonate Inhibitor
分子名称: FORMIC ACID, Suppressor of tumorigenicity 14 protein, phenyl (4-carbamimidoylbenzyl)phosphonate
著者Ray, M, Brown, C, Egea, P.
登録日2010-06-04
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Peptide length and leaving-group sterics influence potency of Peptide phosphonate protease inhibitors.
Chem.Biol., 18, 2011
3IZZ
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BU of 3izz by Molmil
Models for ribosome components that are nearest neighbors to the bovine mitochondrial initiation factor2 bound to the E. Coli ribosome
分子名称: Helix 18 (Small Subunit), Helix 44 (Small Subunit), Helix 5, ...
著者Yassin, A.S, Haque, E, Datta, P.P, Elmore, K, Banavali, N.K, Spremulli, L.L, Agrawal, R.K.
登録日2011-01-20
公開日2011-03-30
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10.8 Å)
主引用文献Insertion domain within mammalian mitochondrial translation initiation factor 2 serves the role of eubacterial initiation factor 1.
Proc.Natl.Acad.Sci.USA, 108, 2011
3J0J
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BU of 3j0j by Molmil
Fitted atomic models of Thermus thermophilus V-ATPase subunits into cryo-EM map
分子名称: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ...
著者Lau, W.C.Y, Rubinstein, J.L.
登録日2011-08-24
公開日2011-12-14
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Subnanometre-resolution structure of the intact Thermus thermophilus H+-driven ATP synthase.
Nature, 481, 2012
3JAS
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BU of 3jas by Molmil
Cryo-EM structure of dynamic GDP-microtubule (14 protofilaments) decorated with kinesin
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, R, Nogales, E.
登録日2015-06-19
公開日2015-08-12
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins.
Cell(Cambridge,Mass.), 162, 2015
3JAT
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BU of 3jat by Molmil
Cryo-EM structure of GMPCPP-microtubule (14 protofilaments) decorated with kinesin
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
著者Zhang, R, Nogales, E.
登録日2015-06-20
公開日2015-08-12
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins.
Cell(Cambridge,Mass.), 162, 2015
6N61
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BU of 6n61 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Capistruin
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ...
著者Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
登録日2018-11-24
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6MJB
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BU of 6mjb by Molmil
Structure of Candida glabrata Csm1:Dsn1(14-72) complex
分子名称: Kinetochore-associated protein DSN1, Monopolin complex subunit CSM1
著者Singh, N, Corbett, K.D.
登録日2018-09-20
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The molecular basis of monopolin recruitment to the kinetochore.
Chromosoma, 128, 2019
6CG2
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BU of 6cg2 by Molmil
Crystal Structure of KDM4A with Compound 8
分子名称: 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J, Nie, Z.
登録日2018-02-19
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
8F2K
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BU of 8f2k by Molmil
Structure of yeast F1-ATPase determined with 100 micromolar cruentaren A
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ATP synthase subunit beta, ...
著者Guo, H, Rubinstein, J.L.
登録日2022-11-08
公開日2023-04-05
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献CryoEM Structure with ATP Synthase Enables Late-Stage Diversification of Cruentaren A.
Chemistry, 29, 2023
3UA5
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BU of 3ua5 by Molmil
Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine
分子名称: Amlodipine, Cytochrome P450 2B6, PROTOPORPHYRIN IX CONTAINING FE
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2011-10-21
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
4OVP
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BU of 4ovp by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE
分子名称: C4-dicarboxylate transport system substrate-binding protein, alpha-D-mannopyranuronic acid
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-12-11
公開日2014-01-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6N60
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BU of 6n60 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
登録日2018-11-23
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.68 Å)
主引用文献Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3TDA
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BU of 3tda by Molmil
Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6
分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-08-10
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4OBJ
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BU of 4obj by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBD
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BU of 4obd by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBK
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BU of 4obk by Molmil
Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
2WSS
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BU of 2wss by Molmil
The structure of the membrane extrinsic region of bovine ATP synthase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ...
著者Rees, D.M, Leslie, A.G.W, Walker, J.E.
登録日2009-09-09
公開日2009-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structure of the Membrane Extrinsic Region of Bovine ATP Synthase
Proc.Natl.Acad.Sci.USA, 106, 2009
4P1B
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BU of 4p1b by Molmil
CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S E16C C84A C85A VARIANT ELECTRON-TRANSFER COMPLEX
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Acheson, J.F, Fox, B.G.
登録日2014-02-25
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system.
Nat Commun, 5, 2014
6NE0
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BU of 6ne0 by Molmil
Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14)
分子名称: CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ...
著者Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C.
登録日2018-12-15
公開日2018-12-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry.
Mol. Cell, 74, 2019

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