4B05
 
 | | Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease | | 分子名称: | (1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | 著者 | Jeppsson, F, Eketjall, S, Janson, J, Karlstrom, S, Gustavsson, S, Olsson, L.L, Radesater, A.C, Ploeger, B, Cebers, G, Kolmodin, K, Swahn, B.M, von Berg, S, Bueters, T, Falting, J. | | 登録日 | 2012-06-28 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease.
J. Biol. Chem., 287, 2012
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8X2S
 | | The Crystal Structure of BPGM from Biortus | | 分子名称: | 1,2-ETHANEDIOL, Bisphosphoglycerate mutase | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | | 登録日 | 2023-11-10 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Crystal Structure of BPGM from Biortus
To Be Published
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6HPX
 | | Crystal structure of ENL (MLLT1) in complex with compound 19 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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3M6B
 | | Crystal Structure of the Ertapenem Pre-isomerized Covalent Adduct with TB B-lactamase | | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Tremblay, L.W, Fan, F, Blanchard, J.S. | | 登録日 | 2010-03-15 | | 公開日 | 2010-04-14 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
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1A4W
 | | CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE | | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | 著者 | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | 登録日 | 1998-02-06 | | 公開日 | 1998-04-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
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8RD4
 | | Telomeric RAP1:DNA-PK complex | | 分子名称: | DNA (41-MER), DNA-dependent protein kinase catalytic subunit, Telomeric repeat-binding factor 2-interacting protein 1, ... | | 著者 | Eickhoff, P, Fisher, C.E.L, Inian, O, Guettler, S, Douglas, M.E. | | 登録日 | 2023-12-07 | | 公開日 | 2025-03-05 | | 最終更新日 | 2025-07-16 | | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | | 主引用文献 | Chromosome end protection by RAP1-mediated inhibition of DNA-PK.
Nature, 642, 2025
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6QDF
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5FNH
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | 登録日 | 2015-11-15 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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8XB9
 | | The Crystal Structure of polo-box domain of PLK1 from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B. | | 登録日 | 2023-12-06 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The Crystal Structure of polo-box domain of PLK1 from Biortus
To Be Published
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8X2A
 | | The Crystal Structure of BMX from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | 登録日 | 2023-11-09 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Crystal Structure of BMX from Biortus.
To Be Published
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7BTT
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7YDO
 | | Crystal structure of Atg44 | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Uncharacterized protein C26A3.14c | | 著者 | Maruyama, T, Noda, N.N. | | 登録日 | 2022-07-04 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | The mitochondrial intermembrane space protein mitofissin drives mitochondrial fission required for mitophagy.
Mol.Cell, 83, 2023
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8J6H
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1A46
 | | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | | 分子名称: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | 登録日 | 1998-02-11 | | 公開日 | 1998-05-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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8X5K
 | | The Crystal Structure of SYK from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z. | | 登録日 | 2023-11-17 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Crystal Structure of SYK from Biortus.
To Be Published
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6TEI
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | | 分子名称: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | 登録日 | 2019-11-12 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.756 Å) | | 主引用文献 | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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6TFI
 | | PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Hillig, R.C, Puetter, V. | | 登録日 | 2019-11-14 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
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8X5J
 | | The Crystal Structure of PARP5A from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, Poly [ADP-ribose] polymerase, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B. | | 登録日 | 2023-11-17 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Crystal Structure of PARP5A from Biortus.
To Be Published
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8X23
 | | The Crystal Structure of MAPK13 from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | 登録日 | 2023-11-09 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The Crystal Structure of MAPK13 from Biortus.
To Be Published
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8XFM
 | | The Crystal Structure of MNK2 from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one, MAP kinase-interacting serine/threonine-protein kinase 2, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | | 登録日 | 2023-12-14 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Crystal Structure of MNK2 from Biortus.
To Be Published
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4XQB
 | | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461 | | 分子名称: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | | 著者 | Stehle, T, Liaci, A.M. | | 登録日 | 2015-01-19 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.597 Å) | | 主引用文献 | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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6TBL
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6QJ7
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8JFK
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | 分子名称: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | 著者 | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2015-12-16 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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