1LGW
 
 | | T4 Lysozyme Mutant L99A/M102Q Bound by 2-fluoroaniline | | 分子名称: | 2-FLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | 登録日 | 2002-04-16 | | 公開日 | 2002-05-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1L6T
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6WTM
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6Q5B
 | | OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ... | | 著者 | Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O. | | 登録日 | 2018-12-07 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
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6Q6K
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569) | | 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, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2018-12-11 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
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6Q5F
 | | OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance | | 分子名称: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O. | | 登録日 | 2018-12-08 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
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1GNA
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1GJX
 | | Solution structure of the lipoyl domain of the chimeric dihydrolipoyl dehydrogenase P64K from Neisseria meningitidis | | 分子名称: | PYRUVATE DEHYDROGENASE | | 著者 | Tozawa, K, Broadhurst, R.W, Raine, A.R.C, Fuller, C, Alvarez, A, Guillen, G, Padron, G, Perham, R.N. | | 登録日 | 2001-08-03 | | 公開日 | 2001-11-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the Lipoyl Domain of the Chimeric Dihydrolipoyl Dehydrogenase P64K from Neisseria Meningitidis
Eur.J.Biochem., 268, 2001
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6X3N
 | | Co-structure of BTK kinase domain with L-005085737 inhibitor | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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1GB4
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1GB1
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1IDA
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5NNC
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | | 分子名称: | Bromodomain-containing protein 4, Histone H3 | | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2017-04-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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5NNG
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | 登録日 | 2017-04-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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5NNF
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated BAZ1B peptide (K221ac) | | 分子名称: | Bromodomain-containing protein 4, FLPH(ALY)YDVKL | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2017-04-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6VS6
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6VV6
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | | 分子名称: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | 著者 | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | | 登録日 | 2020-02-17 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.235 Å) | | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6Q55
 | | Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61 | | 分子名称: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid, Cleavage and Polyadenylation Specificity Factor 3 (CPSF3), GLYCEROL, ... | | 著者 | Palencia, A, Swale, C. | | 登録日 | 2018-12-07 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection.
Sci Transl Med, 11, 2019
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1GS4
 | | Structural basis for the glucocorticoid response in a mutant human androgen receptor (ARccr) derived from an androgen-independent prostate cancer | | 分子名称: | 9ALPHA-FLUOROCORTISOL, ANDROGEN RECEPTOR, PHOSPHATE ION | | 著者 | Matias, P.M, Carrondo, M.A, Coelho, R, Thomaz, M, Zhao, X.-Y, Wegg, A, Crusius, K, Egner, U, Donner, P. | | 登録日 | 2001-12-27 | | 公開日 | 2003-01-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Basis for the Glucocorticoid Response in a Mutant Human Androgen Receptor (Ar(Ccr)) Derived from an Androgen-Independent Prostate Cancer
J.Med.Chem., 45, 2002
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1GP4
 | | Anthocyanidin synthase from Arabidopsis thaliana (selenomethionine substituted) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ANTHOCYANIDIN SYNTHASE | | 著者 | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | | 登録日 | 2001-10-30 | | 公開日 | 2002-02-21 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
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1LGU
 | | T4 Lysozyme Mutant L99A/M102Q | | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | 登録日 | 2002-04-16 | | 公開日 | 2002-05-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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1HB5
 | | quasi-atomic resolution model of bacteriophage PRD1 P3-shell, obtained by combined cryo-EM and X-ray crystallography. | | 分子名称: | BACTERIOPHAGE PRD1 P3-SHELL | | 著者 | San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H. | | 登録日 | 2001-04-11 | | 公開日 | 2001-12-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (12 Å) | | 主引用文献 | Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions.
Structure, 9, 2001
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6X3O
 | | Co-structure of BTK kinase domain with L-005191930 inhibitor | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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1GPA
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1JR1
 | | Crystal structure of Inosine Monophosphate Dehydrogenase in complex with Mycophenolic Acid | | 分子名称: | INOSINIC ACID, Inosine-5'-Monophosphate Dehydrogenase 2, MYCOPHENOLIC ACID, ... | | 著者 | Sintchak, M.D, Fleming, M.A, Futer, O, Raybuck, S.A, Chambers, S.P, Caron, P.R, Murcko, M.A, Wilson, K.P. | | 登録日 | 2001-08-09 | | 公開日 | 2001-09-05 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and mechanism of inosine monophosphate dehydrogenase in complex with the immunosuppressant mycophenolic acid.
Cell(Cambridge,Mass.), 85, 1996
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