4BBV
 
 | | The PB0 Photocycle Intermediate of Photoactive Yellow Protein | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | 著者 | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | | 登録日 | 2012-09-28 | | 公開日 | 2012-11-14 | | 最終更新日 | 2019-01-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4BBU
 | | The PR2 Photocycle Intermediate of Photoactive Yellow Protein | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | 著者 | Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A. | | 登録日 | 2012-09-27 | | 公開日 | 2012-11-14 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3QM4
 | | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | | 分子名称: | Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
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6VXJ
 | | Structure of ABCG2 bound to SN38 | | 分子名称: | 7-ethyl-10-hydroxycamptothecin, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL | | 著者 | Orlando, B.J, Liao, M. | | 登録日 | 2020-02-22 | | 公開日 | 2020-05-13 | | 最終更新日 | 2020-05-20 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | ABCG2 transports anticancer drugs via a closed-to-open switch.
Nat Commun, 11, 2020
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6W5C
 | | Cryo-EM structure of Cas12i(E894A)-crRNA-dsDNA complex | | 分子名称: | Cas12i, NTS, Substrate, ... | | 著者 | Chang, L, Li, Z, Zhang, H. | | 登録日 | 2020-03-13 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Mechanisms for target recognition and cleavage by the Cas12i RNA-guided endonuclease.
Nat.Struct.Mol.Biol., 27, 2020
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3Q71
 | | Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose | | 分子名称: | Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-01-04 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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6VU4
 | | Structure of a beta-hairpin peptide mimic derived from Abeta 14-36 | | 分子名称: | Beta-hairpin Amyloid-beta precursor peptide mimic, CHLORIDE ION, IODIDE ION | | 著者 | Wierzbicki, M, Kreutzer, A, Samdin, T, Nowick, J.S. | | 登録日 | 2020-02-14 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.077 Å) | | 主引用文献 | Effects of N-Terminal Residues on the Assembly of Constrained beta-Hairpin Peptides Derived from A beta.
J.Am.Chem.Soc., 142, 2020
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6W64
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6URE
 | | Barrier-to-autointegration factor Aqueous: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6URK
 | | Barrier-to-autointegration factor soaked in Glycerol: 1 of 14 in MSCS set | | 分子名称: | Barrier-to-autointegration factor, ETHANOL | | 著者 | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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3PZ3
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS-analogue 14 | | 分子名称: | 4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | 著者 | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | | 登録日 | 2010-12-14 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
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4BU2
 | | 60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG) | | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ... | | 著者 | Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J. | | 登録日 | 2013-06-19 | | 公開日 | 2014-05-14 | | 最終更新日 | 2019-02-06 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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3QU8
 | | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | | 分子名称: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-02-23 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
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3RQD
 | | Ideal Thiolate-Zinc Coordination Geometry in Depsipeptide Binding to Histone Deacetylase 8 | | 分子名称: | Histone deacetylase 8, Largazole, POTASSIUM ION, ... | | 著者 | Cole, K.E, Dowling, D.P, Christianson, D.W. | | 登録日 | 2011-04-28 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.143 Å) | | 主引用文献 | Structural basis of the antiproliferative activity of largazole, a depsipeptide inhibitor of the histone deacetylases.
J.Am.Chem.Soc., 133, 2011
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3PDU
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3PEF
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3QOA
 | | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine. | | 分子名称: | 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-02-09 | | 公開日 | 2011-09-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
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4D5B
 | | Crystal structure of CymA from Klebsiella oxytoca | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA, Cyclohexakis-(1-4)-(alpha-D-glucopyranose) | | 著者 | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | | 登録日 | 2014-11-03 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4CQK
 | | Crystal structure of ligand-bound NaD1 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, FLOWER-SPECIFIC DEFENSIN, SULFATE ION, ... | | 著者 | Lay, F.T, Mills, G.M, Poon, I.K.H, Baxter, A.A, Hulett, M.D, Kvansakul, M. | | 登録日 | 2014-02-17 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Phosphoinositide-Mediated Oligomerization of a Defensin Induces Cell Lysis.
Elife, 3, 2014
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4D5D
 | | Crystal structure of CymA from Klebsiella oxytoca | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | | 著者 | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | | 登録日 | 2014-11-03 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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7DHO
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 14 | | 分子名称: | 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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8OET
 | | SFX structure of the class II photolyase complexed with a thymine dimer | | 分子名称: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, DNA (14-mer), Deoxyribodipyrimidine photo-lyase, ... | | 著者 | Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C. | | 登録日 | 2023-03-12 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
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7EV9
 | | cryoEM structure of particulate methane monooxygenase associated with Cu(I) | | 分子名称: | Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (I) ION, ... | | 著者 | Chang, W.H, Lin, H.H, Tsai, I.K, Huang, S.H, Chung, S.C, Tu, I.P, Yu, S.F, Chan, S.I. | | 登録日 | 2021-05-20 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Copper Centers in the Cryo-EM Structure of Particulate Methane Monooxygenase Reveal the Catalytic Machinery of Methane Oxidation.
J.Am.Chem.Soc., 143, 2021
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8II0
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | | 分子名称: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | 登録日 | 2023-02-24 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
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8IHZ
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine | | 分子名称: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | 著者 | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | 登録日 | 2023-02-24 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
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