6ZEX
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![BU of 6zex by Molmil](/molmil-images/mine/6zex) | Keap1 kelch domain bound to a small molecule fragment | 分子名称: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2020-06-16 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF1
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![BU of 6zf1 by Molmil](/molmil-images/mine/6zf1) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | 分子名称: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2020-06-16 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF2
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![BU of 6zf2 by Molmil](/molmil-images/mine/6zf2) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | 分子名称: | 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2020-06-16 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF3
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![BU of 6zf3 by Molmil](/molmil-images/mine/6zf3) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2020-06-16 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6XOX
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![BU of 6xox by Molmil](/molmil-images/mine/6xox) | cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970 | 分子名称: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, Alpha subunit of Gs with N-terminus swapped with equivalent residues in Gi,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Glucagon-like peptide 1 receptor, ... | 著者 | Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S. | 登録日 | 2020-07-07 | 公開日 | 2020-11-18 | 最終更新日 | 2020-12-09 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist. Proc.Natl.Acad.Sci.USA, 117, 2020
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6XW4
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![BU of 6xw4 by Molmil](/molmil-images/mine/6xw4) | Crystal structure of murine norovirus P domain in complex with Nanobody NB-5867 | 分子名称: | 1,2-ETHANEDIOL, Capsid protein, Nanobody NB-5867 | 著者 | Kilic, T, Sabin, C, Hansman, G. | 登録日 | 2020-01-23 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus. J.Virol., 94, 2020
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6ZB4
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![BU of 6zb4 by Molmil](/molmil-images/mine/6zb4) | SARS CoV-2 Spike protein, Closed conformation, C1 symmetry | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I. | 登録日 | 2020-06-06 | 公開日 | 2020-09-30 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein. Science, 370, 2020
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6ZB5
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![BU of 6zb5 by Molmil](/molmil-images/mine/6zb5) | SARS CoV-2 Spike protein, Closed conformation, C3 symmetry | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I. | 登録日 | 2020-06-07 | 公開日 | 2020-09-30 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein. Science, 370, 2020
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6ZGP
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![BU of 6zgp by Molmil](/molmil-images/mine/6zgp) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | 著者 | Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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6ZIS
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![BU of 6zis by Molmil](/molmil-images/mine/6zis) | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | 著者 | Southall, S.M. | 登録日 | 2020-06-26 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J.Med.Chem., 63, 2020
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4I1L
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![BU of 4i1l by Molmil](/molmil-images/mine/4i1l) | Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function | 分子名称: | ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ... | 著者 | Song, X.M, Greene, M.I, Zhou, Z.C. | 登録日 | 2012-11-21 | 公開日 | 2012-12-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function. Cell Rep, 1, 2012
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4HXQ
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![BU of 4hxq by Molmil](/molmil-images/mine/4hxq) | Crystal structure of human Arginase-1 complexed with inhibitor 14 | 分子名称: | Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | 登録日 | 2012-11-12 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
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4HZE
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![BU of 4hze by Molmil](/molmil-images/mine/4hze) | Crystal structure of human Arginase-2 complexed with inhibitor 9 | 分子名称: | Arginase-2, mitochondrial, BENZAMIDINE, ... | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | 登録日 | 2012-11-15 | 公開日 | 2013-03-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
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4H1M
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![BU of 4h1m by Molmil](/molmil-images/mine/4h1m) | Crystal structure of PYK2 with the indole 10c | 分子名称: | 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta | 著者 | Han, S. | 登録日 | 2012-09-10 | 公開日 | 2012-11-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4JZJ
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![BU of 4jzj by Molmil](/molmil-images/mine/4jzj) | |
4JPB
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![BU of 4jpb by Molmil](/molmil-images/mine/4jpb) | The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima. | 分子名称: | Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein | 著者 | Li, X, Bayas, C, Bilwes, A.M, Crane, B.R. | 登録日 | 2013-03-19 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.186 Å) | 主引用文献 | The 3.2 angstrom resolution structure of a receptor: CheA:CheW signaling complex defines overlapping binding sites and key residue interactions within bacterial chemosensory arrays. Biochemistry, 52, 2013
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4HEU
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![BU of 4heu by Molmil](/molmil-images/mine/4heu) | |
4HF4
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![BU of 4hf4 by Molmil](/molmil-images/mine/4hf4) | |
4KRE
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![BU of 4kre by Molmil](/molmil-images/mine/4kre) | |
4K9F
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![BU of 4k9f by Molmil](/molmil-images/mine/4k9f) | Neutron structure of Perdeuterated Rubredoxin refined against 1.75 resolution data collected on the new IMAGINE instrument at HFIR, ORNL | 分子名称: | FE (III) ION, Rubredoxin | 著者 | Munshi, P, Meilleur, F, Myles, D. | 登録日 | 2013-04-19 | 公開日 | 2013-12-04 | 最終更新日 | 2023-09-20 | 実験手法 | NEUTRON DIFFRACTION (1.75 Å) | 主引用文献 | The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography. Acta Crystallogr.,Sect.D, 69, 2013
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4HWE
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![BU of 4hwe by Molmil](/molmil-images/mine/4hwe) | |
4KJU
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![BU of 4kju by Molmil](/molmil-images/mine/4kju) | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | 分子名称: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2013-05-03 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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4KRF
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4HWB
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4KPP
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![BU of 4kpp by Molmil](/molmil-images/mine/4kpp) | Crystal Structure of H+/Ca2+ Exchanger CAX | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, OLEIC ACID, ... | 著者 | Nishizawa, T, Ishitani, R, Nureki, O. | 登録日 | 2013-05-14 | 公開日 | 2013-06-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the counter-transport mechanism of a H+/Ca2+ exchanger. Science, 341, 2013
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