6P2L
| Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme | 分子名称: | CHLORIDE ION, Glycosyl hydrolase BNR repeat-containing protein, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | 著者 | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | 登録日 | 2019-05-21 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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8S8C
| Structure of Kras in complex with inhibitor MK-1084 | 分子名称: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Day, P.J, Cleasby, A. | 登録日 | 2024-03-06 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 2024
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1PGE
| PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN) | 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, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ... | 著者 | Loll, P.J, Picot, D, Garavito, R.M. | 登録日 | 1995-12-02 | 公開日 | 1997-01-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
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6P2N
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6V56
| The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000985494 | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | 著者 | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | 登録日 | 2019-12-03 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494 To Be Published
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6PPW
| Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate | 分子名称: | D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase | 著者 | Rosanally, A.Z, Junop, M.S, Berti, P.J. | 登録日 | 2019-07-08 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
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6PGV
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4YFJ
| Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib | 分子名称: | Aminoglycoside 3'-N-acetyltransferase, SULFATE ION | 著者 | Stogios, P.J, Xu, Z, Evdokimova, E, Yim, V, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2015-02-25 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib To Be Published
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1PGF
| PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL | 分子名称: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 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 | Loll, P.J, Picot, D, Garavito, R.M. | 登録日 | 1995-12-02 | 公開日 | 1997-01-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
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2CKS
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) | 分子名称: | BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ... | 著者 | Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M. | 登録日 | 2006-04-21 | 公開日 | 2007-05-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose To be Published
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8SS1
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8SRZ
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6P0R
| Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor | 分子名称: | (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ... | 著者 | Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2019-05-17 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor to be published
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2BOC
| Potassium channel KcsA-Fab complex in thallium with tetraethylarsonium (TEAs) | 分子名称: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ... | 著者 | Lenaeus, M.J, Vamvouka, M, Focia, P.J, Gross, A. | 登録日 | 2005-04-09 | 公開日 | 2005-04-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Structural Basis of Tea Blockade in a Model Potassium Channel Nat.Struct.Mol.Biol., 12, 2005
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8T55
| Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | 分子名称: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | 著者 | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-12 | 公開日 | 2023-07-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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7KNR
| The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558 | 分子名称: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W. | 登録日 | 2020-11-05 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558 To Be Published
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6PPX
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7KNY
| The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528 | 分子名称: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W. | 登録日 | 2020-11-06 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528 To Be Published
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7KOP
| The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 | 分子名称: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, P.J, Seetharaman, J, White, S.W. | 登録日 | 2020-11-09 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 To Be Published
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2NLW
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6P7I
| Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound | 分子名称: | GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ... | 著者 | Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-05 | 公開日 | 2019-06-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor J.Med.Chem., 63, 2020
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8T9N
| Bacillus subtilis RsgI GGG mutant | 分子名称: | Anti-sigma-I factor RsgI | 著者 | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | 登録日 | 2023-06-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
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6PPZ
| Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc) | 分子名称: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, MANGANESE (II) ION, N-acetylneuraminate synthase, ... | 著者 | Berti, P.J, Junop, M.S. | 登録日 | 2019-07-08 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
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2BU9
| Isopenicillin N synthase complexed with L-aminoadipoyl-L-cysteinyl-L- hexafluorovaline | 分子名称: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE, FE (III) ION, ISOPENICILLIN N SYNTHETASE, ... | 著者 | Howard-Jones, A.R, Rutledge, P.J, Clifton, I.J, Adlington, R.M, Baldwin, J.E. | 登録日 | 2005-06-09 | 公開日 | 2005-09-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Unique Binding of a Non-Natural L,L,L-Substrate by Isopenicillin N Synthase Biochem.Biophys.Res.Commun., 336, 2005
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2N2R
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