8P83
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![BU of 8p83 by Molmil](/molmil-images/mine/8p83) | Cryo-EM structure of full-length human UBR5 (homotetramer) | 分子名称: | E3 ubiquitin-protein ligase UBR5 | 著者 | Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H. | 登録日 | 2023-05-31 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | 主引用文献 | UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability. Mol.Cell, 83, 2023
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8AX5
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![BU of 8ax5 by Molmil](/molmil-images/mine/8ax5) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | 分子名称: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | 著者 | Southall, S.M, Watson, S.P. | 登録日 | 2022-08-30 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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8AX6
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![BU of 8ax6 by Molmil](/molmil-images/mine/8ax6) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | 分子名称: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | 著者 | Southall, S.M, Watson, S.P. | 登録日 | 2022-08-30 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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8AX7
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![BU of 8ax7 by Molmil](/molmil-images/mine/8ax7) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | 分子名称: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | 著者 | Southall, S.M, Watson, S.P. | 登録日 | 2022-08-30 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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4WTU
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![BU of 4wtu by Molmil](/molmil-images/mine/4wtu) | Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22 | 分子名称: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2014-10-30 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities. Acs Med.Chem.Lett., 6, 2015
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4QFG
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4QFR
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![BU of 4qfr by Molmil](/molmil-images/mine/4qfr) | Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor | 分子名称: | 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | 著者 | Calabrese, M.F, Kurumbail, R.G. | 登録日 | 2014-05-21 | 公開日 | 2014-08-06 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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4DUS
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![BU of 4dus by Molmil](/molmil-images/mine/4dus) | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | 著者 | Sickmier, E.A. | 登録日 | 2012-02-22 | 公開日 | 2012-10-10 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase. ACS Med Chem Lett, 3, 2012
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4QFS
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![BU of 4qfs by Molmil](/molmil-images/mine/4qfs) | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | 分子名称: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | 著者 | Calabrese, M.F, Kurumbail, R.G. | 登録日 | 2014-05-21 | 公開日 | 2014-08-06 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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4FS4
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![BU of 4fs4 by Molmil](/molmil-images/mine/4fs4) | Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Stamford, A. | 登録日 | 2012-06-26 | 公開日 | 2012-10-10 | 最終更新日 | 2014-07-23 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase. ACS Med Chem Lett, 3, 2012
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5WAT
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![BU of 5wat by Molmil](/molmil-images/mine/5wat) | |
5WAS
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2EC6
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![BU of 2ec6 by Molmil](/molmil-images/mine/2ec6) | Placopecten Striated Muscle Myosin II | 分子名称: | CALCIUM ION, Myosin essential light chain, Myosin heavy chain, ... | 著者 | Yang, Y, Brown, J, Samudrala, G, Reutzel, R, Szent-Gyorgyi, A. | 登録日 | 2007-02-10 | 公開日 | 2008-02-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure, 15, 2007
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4DH6
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![BU of 4dh6 by Molmil](/molmil-images/mine/4dh6) | Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | 分子名称: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Sickmier, E.A. | 登録日 | 2012-01-27 | 公開日 | 2012-04-18 | 最終更新日 | 2013-07-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid. J.Med.Chem., 55, 2012
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4DI2
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![BU of 4di2 by Molmil](/molmil-images/mine/4di2) | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | 分子名称: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-30 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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3ZFJ
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![BU of 3zfj by Molmil](/molmil-images/mine/3zfj) | N-terminal domain of pneumococcal PhtD protein with bound Zn(II) | 分子名称: | PNEUMOCOCCAL HISTIDINE TRIAD PROTEIN D, ZINC ION | 著者 | Bersch, B, Bougault, C, Favier, A, Gabel, F, Roux, L, Vernet, T, Durmort, C. | 登録日 | 2012-12-11 | 公開日 | 2013-11-20 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | New Insights Into Histidine Triad Proteins: Solution Structure of a Streptococcus Pneumoniae Phtd Domain and Zinc Transfer to Adcaii. Plos One, 8, 2013
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4L6S
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![BU of 4l6s by Molmil](/molmil-images/mine/4l6s) | PARP complexed with benzo[1,4]oxazin-3-one inhibitor | 分子名称: | (2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one, Poly [ADP-ribose] polymerase 1 | 著者 | Dougan, D.R, Mol, C.D, Lawson, J.D. | 登録日 | 2013-06-12 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors Bioorg.Med.Chem.Lett., 23, 2013
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3C5Z
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3LTI
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![BU of 3lti by Molmil](/molmil-images/mine/3lti) | |
3LU0
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![BU of 3lu0 by Molmil](/molmil-images/mine/3lu0) | Molecular model of Escherichia coli core RNA polymerase | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Darst, S.A. | 登録日 | 2010-02-16 | 公開日 | 2010-09-29 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (11.2 Å) | 主引用文献 | Complete structural model of Escherichia coli RNA polymerase from a hybrid approach. Plos Biol., 8, 2010
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3RSV
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![BU of 3rsv by Molmil](/molmil-images/mine/3rsv) | |
3RTH
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![BU of 3rth by Molmil](/molmil-images/mine/3rth) | |
3RVI
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![BU of 3rvi by Molmil](/molmil-images/mine/3rvi) | |
3RTN
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3RSX
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![BU of 3rsx by Molmil](/molmil-images/mine/3rsx) | |