3W5M
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![BU of 3w5m by Molmil](/molmil-images/mine/3w5m) | Crystal Structure of Streptomyces avermitilis alpha-L-rhamnosidase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Putative rhamnosidase | 著者 | Fujimoto, Z, Jackson, A, Michikawa, M, Maehara, T, Momma, M, Henrissat, B.F, Gilbert, H.J, Kaneko, S. | 登録日 | 2013-01-31 | 公開日 | 2013-03-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The structure of a Streptomyces avermitilis alpha-L-rhamnosidase reveals a novel carbohydrate-binding module CBM67 within the six-domain arrangement. J.Biol.Chem., 288, 2013
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8GMC
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![BU of 8gmc by Molmil](/molmil-images/mine/8gmc) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | 分子名称: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, SULFATE ION | 著者 | Muckelbauer, J.K. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain. Med.Chem.Res., 2023
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8GMD
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![BU of 8gmd by Molmil](/molmil-images/mine/8gmd) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol | 分子名称: | (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol, AP2-associated protein kinase 1, SULFATE ION | 著者 | Muckelbauer, J.K. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain. Med.Chem.Res., 2023
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6MYY
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![BU of 6myy by Molmil](/molmil-images/mine/6myy) | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | 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, 426c DS-SOSIP D3, ... | 著者 | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | 登録日 | 2018-11-02 | 公開日 | 2018-11-14 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
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2I3V
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![BU of 2i3v by Molmil](/molmil-images/mine/2i3v) | Measurement of conformational changes accompanying desensitization in an ionotropic glutamate receptor: Structure of G725C mutant | 分子名称: | GLUTAMIC ACID, Glutamate receptor 2, ZINC ION | 著者 | Armstrong, N, Jasti, J, Beich-Frandsen, M, Gouaux, E. | 登録日 | 2006-08-21 | 公開日 | 2006-10-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Measurement of Conformational Changes accompanying Desensitization in an Ionotropic Glutamate Receptor. Cell(Cambridge,Mass.), 127, 2006
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3WMZ
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![BU of 3wmz by Molmil](/molmil-images/mine/3wmz) | Crystal Structure of Streptomyces coelicolor alpha-L-arabinofuranosidase ethylmercury derivative | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ETHYL MERCURY ION, ... | 著者 | Fujimoto, Z, Maehara, T, Ichinose, H, Michikawa, M, Harazono, K, Kaneko, S. | 登録日 | 2013-11-29 | 公開日 | 2014-02-05 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure and characterization of the glycoside hydrolase family 62 alpha-L-arabinofuranosidase from Streptomyces coelicolor J.Biol.Chem., 289, 2014
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3RQM
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![BU of 3rqm by Molmil](/molmil-images/mine/3rqm) | Structure of the neuronal nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Delker, S.L, Poulos, T.L. | 登録日 | 2011-04-28 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
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2HID
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3WN1
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![BU of 3wn1 by Molmil](/molmil-images/mine/3wn1) | Crystal Structure of Streptomyces coelicolor alpha-L-arabinofuranosidase in complex with xylotriose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Fujimoto, Z, Maehara, T, Ichinose, H, Michikawa, M, Harazono, K, Kaneko, S. | 登録日 | 2013-11-29 | 公開日 | 2014-02-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure and characterization of the glycoside hydrolase family 62 alpha-L-arabinofuranosidase from Streptomyces coelicolor J.Biol.Chem., 289, 2014
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8G9A
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![BU of 8g9a by Molmil](/molmil-images/mine/8g9a) | Crystal structure of a resurrected ancestor (AncRNase) of the pancreatic-type RNases 2 and 3 sub-families | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, SULFATE ION, ... | 著者 | Tran, T.T.Q, Pham, N.T.H, Calmettes, C, Doucet, N. | 登録日 | 2023-02-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Ancestral sequence reconstruction dissects structural and functional differences among eosinophil ribonucleases. J.Biol.Chem., 300, 2024
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6P9G
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![BU of 6p9g by Molmil](/molmil-images/mine/6p9g) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | 分子名称: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | 著者 | Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6N81
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5KH3
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![BU of 5kh3 by Molmil](/molmil-images/mine/5kh3) | Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Dong, A, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-14 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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6C4C
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![BU of 6c4c by Molmil](/molmil-images/mine/6c4c) | Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate | 分子名称: | 3-NITROPROPANOIC ACID, GLYOXYLIC ACID, Isocitrate lyase 1, ... | 著者 | Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M. | 登録日 | 2018-01-11 | 公開日 | 2018-06-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition. ACS Chem. Biol., 13, 2018
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6W1M
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![BU of 6w1m by Molmil](/molmil-images/mine/6w1m) | Cryo-EM structure of 5HT3A receptor in presence of Ondansetron | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | 著者 | Basak, S, Chakrapani, S. | 登録日 | 2020-03-04 | 公開日 | 2021-01-13 | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | 主引用文献 | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition. Elife, 9, 2020
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6W1Y
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![BU of 6w1y by Molmil](/molmil-images/mine/6w1y) | Cryo-EM structure of 5HT3A receptor in presence of Palonosetron | 分子名称: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Basak, S, Chakrapani, S. | 登録日 | 2020-03-04 | 公開日 | 2021-01-13 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition. Elife, 9, 2020
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4J6N
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3X2K
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![BU of 3x2k by Molmil](/molmil-images/mine/3x2k) | X-ray structure of PcCel45A D114N with cellopentaose at 95K. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein, ... | 著者 | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | 登録日 | 2014-12-22 | 公開日 | 2015-10-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.182 Å) | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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7P40
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![BU of 7p40 by Molmil](/molmil-images/mine/7p40) | P5C3 is a potent fab neutralizer | 分子名称: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | 著者 | perez, L. | 登録日 | 2021-07-09 | 公開日 | 2021-10-13 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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6NFZ
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![BU of 6nfz by Molmil](/molmil-images/mine/6nfz) | Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active state. | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | 著者 | Johnson, E, McTigue, M, Cronin, C.N. | 登録日 | 2018-12-21 | 公開日 | 2019-05-01 | 最終更新日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (2.966 Å) | 主引用文献 | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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3X2G
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![BU of 3x2g by Molmil](/molmil-images/mine/3x2g) | X-ray structure of PcCel45A N92D apo form at 100K | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein | 著者 | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | 登録日 | 2014-12-22 | 公開日 | 2015-10-07 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2L
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![BU of 3x2l by Molmil](/molmil-images/mine/3x2l) | X-ray structure of PcCel45A apo form at 95K. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein | 著者 | Nakamura, A, Ishida, T, Ohta, K, Tanaka, H, Inaka, K, Samejima, M, Igarashi, K. | 登録日 | 2014-12-22 | 公開日 | 2015-10-14 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (0.83 Å) | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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4J6K
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6CHT
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![BU of 6cht by Molmil](/molmil-images/mine/6cht) | |
3P7C
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![BU of 3p7c by Molmil](/molmil-images/mine/3p7c) | p38 inhibitor-bound | 分子名称: | 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Moffett, K.K, Namboodiri, H. | 登録日 | 2010-10-12 | 公開日 | 2011-10-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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