4E4L
 
 | | JAK1 kinase (JH1 domain) in complex with compound 30 | | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | | 著者 | Eigenbrot, C. | | 登録日 | 2012-03-13 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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5Z85
 | | The structure of azide-bound cytochrome c oxidase determined using the another batch crystals exposed to 20 mM azide solution for 2 days | | 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 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | | 登録日 | 2018-01-31 | | 公開日 | 2018-08-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
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4NY4
 | | Crystal structure of CYP3A4 in complex with an inhibitor | | 分子名称: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Branden, G, Sjogren, T, Xue, Y. | | 登録日 | 2013-12-10 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
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4E4M
 | | JAK2 kinase (JH1 domain) in complex with compound 30 | | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | | 著者 | Eigenbrot, C. | | 登録日 | 2012-03-13 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
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4CCC
 | | STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH 4NBDG: ENZYME-SUBSTRATE COMPLEX | | 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, 4-nitrophenyl beta-D-galactopyranoside, ... | | 著者 | Hill, C.H, Graham, S.C, Read, R.J, Deane, J.E. | | 登録日 | 2013-10-21 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural Snapshots Illustrate the Catalytic Cycle of Beta-Galactocerebrosidase, the Defective Enzyme in Krabbe Disease
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BQR
 | | Mtb InhA complex with Methyl-thiazole compound 11 | | 分子名称: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | | 登録日 | 2013-05-31 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
J.Med.Chem., 56, 2013
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3P2V
 | | Novel Benzothiazepine Inhibitor in Complex with human Aldose Reductase | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-10-04 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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1CQ1
 | | Soluble Quinoprotein Glucose Dehydrogenase from Acinetobacter Calcoaceticus in Complex with PQQH2 and Glucose | | 分子名称: | CALCIUM ION, PYRROLOQUINOLINE QUINONE, SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE, ... | | 著者 | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | | 登録日 | 1999-08-04 | | 公開日 | 2000-02-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure and mechanism of soluble quinoprotein glucose dehydrogenase.
EMBO J., 18, 1999
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4EY0
 | | Structure of tandem SH2 domains from PLCgamma1 | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | | 著者 | Cole, A.R, Mas-Droux, C.P, Bunney, T.D, Katan, M. | | 登録日 | 2012-05-01 | | 公開日 | 2012-10-31 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation.
Structure, 20, 2012
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4EWN
 | | Structure of HisF-D130V+D176V with bound rCdRP | | 分子名称: | 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate, Imidazole glycerol phosphate synthase subunit HisF | | 著者 | Reisinger, B, Bocola, M, Rajendran, C, List, F, Sterner, R. | | 登録日 | 2012-04-27 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | | 主引用文献 | A sugar isomerization reaction established on various (beta-alpha)8-barrel scaffolds is based on substrate-assisted catalysis
Protein Eng.Des.Sel., 25, 2012
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3VL6
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4OYN
 | | Fifteen minutes iron loaded human H ferritin | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, CHLORIDE ION, ... | | 著者 | Pozzi, C, Di Pisa, F, Mangani, S. | | 登録日 | 2014-02-12 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
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1YHO
 | | Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures | | 分子名称: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Polshakov, V.I, Birdsall, B. | | 登録日 | 2005-01-10 | | 公開日 | 2005-11-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human dihydrofolate reductase in its complex with trimethoprim and NADPH.
J.Biomol.Nmr, 33, 2005
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1HF3
 | | ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, ... | | 著者 | Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S. | | 登録日 | 2000-11-27 | | 公開日 | 2001-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
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5GZ4
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4FDQ
 | | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | | 分子名称: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | | 登録日 | 2012-05-29 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
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7F0I
 | | phosphodiesterase-9A in complex with inhibitor 4b | | 分子名称: | 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wu, Y, Huang, Y.Y, Luo, H.B. | | 登録日 | 2021-06-04 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.70000887 Å) | | 主引用文献 | Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
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2DRC
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3VEC
 | | Rhodococcus jostii RHA1 DypB D153A variant in complex with heme | | 分子名称: | CHLORIDE ION, DypB, GLYCEROL, ... | | 著者 | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | | 登録日 | 2012-01-07 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
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3VL4
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2N07
 | | Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1 | | 分子名称: | Alpha-conotoxin Vc1A | | 著者 | Yu, R, Seymour, V, Berecki, G, Jia, X, Akcan, M, Adams, D, Kaas, Q, Craik, D. | | 登録日 | 2015-03-04 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-11-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1.
To be Published
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4NM0
 | | Crystal structure of peptide inhibitor-free GSK-3/Axin complex | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | | 著者 | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | | 登録日 | 2013-11-14 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
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4F7I
 | | Structure of Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | | 分子名称: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | 著者 | Pallo, A, Graczer, E, Zavodszky, P, Weiss, M.S, Vas, M. | | 登録日 | 2012-05-16 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis.
Febs J., 281, 2014
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7BLZ
 | | Red alga C.merolae Photosystem I | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, ... | | 著者 | Nelson, N, Klaiman, D, Hippler, M. | | 登録日 | 2021-01-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Red alga C.merolae Photosystem I
To Be Published
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4FAA
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