7P4K
 
 | | Soluble epoxide hydrolase in complex with FL217 | | 分子名称: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | | 著者 | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2021-07-11 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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7OXW
 | | CrabP2 mutant R30DK31D | | 分子名称: | ACETATE ION, Cellular retinoic acid-binding protein 2, SULFATE ION | | 著者 | Pastok, M.W, Basle, A, Endicott, J.A. | | 登録日 | 2021-06-23 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
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7OXX
 | | CrabP2 mutant R30AK31A | | 分子名称: | Cellular retinoic acid-binding protein 2, SODIUM ION | | 著者 | Tomlinson, C.W.E, Basle, A, Pohl, E. | | 登録日 | 2021-06-23 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
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7P0U
 | | ORF virus encoded Bcl-2 homolog ORFV125 in complex with Puma BH3 peptide | | 分子名称: | 1,2-ETHANEDIOL, Activator of apoptosis harakiri, Apoptosis inhibitor, ... | | 著者 | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | | 登録日 | 2021-06-30 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.99374259 Å) | | 主引用文献 | Structural Investigation of Orf Virus Bcl-2 Homolog ORFV125 Interactions with BH3-Motifs from BH3-Only Proteins Puma and Hrk.
Viruses, 13, 2021
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6DVC
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 6nt spacer | | 分子名称: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | 登録日 | 2018-06-23 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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6DVU
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7OW2
 | | E3 RING ligase binding domain with peptide | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF187 peptide, E3 ubiquitin-protein ligase TRIM7, ... | | 著者 | James, L.C. | | 登録日 | 2021-06-16 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | E3 ligase targeting domain
To Be Published
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6D4T
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | | 分子名称: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | | 登録日 | 2018-04-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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7P2Z
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4 | | 分子名称: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
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6DG3
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium | | 分子名称: | CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase | | 著者 | Fellner, M, Hausinger, R.P, Hu, J. | | 登録日 | 2018-05-16 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.944 Å) | | 主引用文献 | Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE
J Life Sci, 2021
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7P0S
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7OJU
 | | Chaetomium thermophilum Naa50 GNAT-domain in complex with bisubstrate analogue CoA-Ac-MVNAL | | 分子名称: | CARBOXYMETHYL COENZYME *A, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | 著者 | Weidenhausen, J, Kopp, J, Sinning, I. | | 登録日 | 2021-05-17 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Extended N-Terminal Acetyltransferase Naa50 in Filamentous Fungi Adds to Naa50 Diversity.
Int J Mol Sci, 23, 2022
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7OWE
 | | Odinarchaeota Adenylate kinase (OdinAK) in complex with inhibitor Ap5a | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | | 著者 | Grundstrom, C, Aberg-Zingmark, E, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2021-06-18 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7OWL
 | | Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP | | 分子名称: | Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE | | 著者 | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2021-06-18 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7OWK
 | | Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP | | 分子名称: | Adenylate kinase, THYMIDINE-5'-TRIPHOSPHATE | | 著者 | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2021-06-18 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7OYE
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6DBN
 | | Jak1 with compound 23 | | 分子名称: | Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | | 著者 | Vajdos, F.F. | | 登録日 | 2018-05-03 | | 公開日 | 2018-08-29 | | 最終更新日 | 2018-11-07 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
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7OWH
 | | Odinarchaeota Adenylate kinase (OdinAK) native structure | | 分子名称: | Adenylate kinase, CHLORIDE ION | | 著者 | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2021-06-18 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
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7P0J
 | | Crystal structure of S.pombe Mdb1 BRCT domains | | 分子名称: | CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ... | | 著者 | Day, M, Oliver, A.W, Pearl, L.H. | | 登録日 | 2021-06-29 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
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7P0K
 | | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | | 分子名称: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | | 登録日 | 2021-06-29 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
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6DOR
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7OR5
 | | Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ162 | | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, Neurogenic locus notch homolog protein 4, ... | | 著者 | Centorrino, F, Wu, Q, Ottmann, C. | | 登録日 | 2021-06-04 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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6DP4
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7P32
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
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6DD8
 | | Structure of mouse SYCP3, P21 form | | 分子名称: | Synaptonemal complex protein 3 | | 著者 | Rosenberg, S.C, Munoz, I.C, Uson, I, Corbett, K.D. | | 登録日 | 2018-05-09 | | 公開日 | 2018-08-01 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A conserved filamentous assembly underlies the structure of the meiotic chromosome axis.
Elife, 8, 2019
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