5F5N
 
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5F15
 | | Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ... | | 著者 | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2015-11-30 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
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6E5L
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | | 分子名称: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | 著者 | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-20 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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5B1A
 | | Bovine heart cytochrome c oxidase in the fully oxidized state at 1.5 angstrom resolution | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | 登録日 | 2015-12-01 | | 公開日 | 2016-09-14 | | 最終更新日 | 2020-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle.
J.Biol.Chem., 291, 2016
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5EYP
 | | TUBULIN-DARPIN COMPLEX | | 分子名称: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ahmad, S, Knossow, M, Gigant, B. | | 登録日 | 2015-11-25 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin.
Sci Rep, 6, 2016
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5BMH
 | | Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form B | | 分子名称: | Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | 著者 | Cunningham, T.C, Horne, W.S, Saxena, S. | | 登録日 | 2015-05-22 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Protein Sci., 25, 2016
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5EWA
 | | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 | | 分子名称: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | | 著者 | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | | 登録日 | 2015-11-20 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5C8G
 | | Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, PP-BRD20, UNKNOWN ATOM OR ION | | 著者 | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-25 | | 公開日 | 2015-07-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure Analysis of PP-BRD20 from Tb427tmp
to be published
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5BZC
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5BZI
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7JXX
 | | Structure of TTBK1 kinase domain in complex with Compound 3 | | 分子名称: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1 | | 著者 | Chodaprambil, J.V. | | 登録日 | 2020-08-28 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
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8EIH
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7YWT
 | | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | | 分子名称: | (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-02-14 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.106 Å) | | 主引用文献 | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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3IOC
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine | | 分子名称: | (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol, GLYCEROL, Pantothenate synthetase | | 著者 | Ciulli, A, Scott, D.E, Abell, C. | | 登録日 | 2009-08-14 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry
Chembiochem, 10, 2009
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6L20
 | | Crystal structure of CK2a2 with hematein | | 分子名称: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, CHLORIDE ION, Casein kinase II subunit alpha' | | 著者 | Tsuyuguchi, M, Kinoshita, T. | | 登録日 | 2019-10-02 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.08735132 Å) | | 主引用文献 | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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3IR5
 | | Crystal structure of NarGHI mutant NarG-H49C | | 分子名称: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | 著者 | Bertero, M.G, Rothery, R.A, Weiner, J.H, Strynadka, N.C.J. | | 登録日 | 2009-08-21 | | 公開日 | 2010-01-05 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Protein crystallography reveals a role for the FS0 cluster of Escherichia coli nitrate reductase A (NarGHI) in enzyme maturation.
J.Biol.Chem., 285, 2010
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7K0U
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6E5W
 | | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | | 分子名称: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | | 著者 | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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3IGV
 | | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor | | 分子名称: | N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | 登録日 | 2009-07-28 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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7K1E
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | 登録日 | 2020-09-07 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 3
To Be Published
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3IOD
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.75 Ang resolution in complex with 5'-deoxy-5'-((3-nitrobenzyl)disulfanyl)-adenosine | | 分子名称: | (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol, ETHANOL, GLYCEROL, ... | | 著者 | Ciulli, A, Scott, D.E, Abell, C. | | 登録日 | 2009-08-14 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry
Chembiochem, 10, 2009
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6L21
 | | Crystal structure of CK2a1 H160A with hematein | | 分子名称: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha | | 著者 | Tsuyuguchi, M, Kinoshita, T. | | 登録日 | 2019-10-02 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05451775 Å) | | 主引用文献 | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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7YRK
 | | Crystal structure of the hen egg lysozyme-2-oxidobenzylidene-threoninato-copper (II) complex | | 分子名称: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Unno, M, Furuya, T, Kitanishi, K, Akitsu, T. | | 登録日 | 2022-08-10 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | A novel hybrid protein composed of superoxide-dismutase-active Cu(II) complex and lysozyme.
Sci Rep, 13, 2023
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5U51
 | | Structure of Francisella tularensis heterodimeric SspA (MglA-SspA) in complex with ppGpp | | 分子名称: | GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Cuthbert, B.J, Schumacher, M.A, Brennan, R.G. | | 登録日 | 2016-12-06 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dissection of the molecular circuitry controlling virulence in Francisella tularensis.
Genes Dev., 31, 2017
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3RX7
 | | Structure of AaCel9A in complex with cellotetraose-like isofagomine | | 分子名称: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside, (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside, CALCIUM ION, ... | | 著者 | Morera, S. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Fortuitious binding of inhibitors-derived isofagomine for inverting GH9 beta-glycosidases
Org.Biomol.Chem., 9, 2011
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