6NW3
 
 | | BACE1 in complex with a macrocyclic inhibitor | | 分子名称: | Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION | | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | 登録日 | 2019-02-05 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | | 主引用文献 | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
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8E72
 | | Treponema lecithinolyticum beta-glucuronidase in complex with a ciprofloxacin-glucuronide conjugate | | 分子名称: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | | 著者 | Lietzan, A.D, Redinbo, M.R. | | 登録日 | 2022-08-23 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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4M2R
 | | Human Carbonic Anhydrase II in complex with Brinzolamide | | 分子名称: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | 著者 | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | | 登録日 | 2013-08-05 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.993 Å) | | 主引用文献 | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
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4QYF
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6NBC
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4REF
 | | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | | 分子名称: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | | 登録日 | 2014-09-22 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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1XM6
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram | | 分子名称: | (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | 登録日 | 2004-10-01 | | 公開日 | 2004-12-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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8DZJ
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1XOR
 | | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine | | 分子名称: | 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, ZINC ION, ... | | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | 登録日 | 2004-10-06 | | 公開日 | 2004-12-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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6NPM
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8DPM
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3K1O
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole | | 分子名称: | 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase | | 著者 | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | | 登録日 | 2009-09-28 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
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6NLJ
 | | 1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12) | | 分子名称: | 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION | | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | 登録日 | 2019-01-08 | | 公開日 | 2019-05-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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8DPL
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1XA3
 | | Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Crotonobetainyl-CoA:carnitine CoA-transferase, SULFATE ION | | 著者 | Stenmark, P, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE) | | 登録日 | 2004-08-25 | | 公開日 | 2004-11-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism
Biochemistry, 43, 2004
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2H9V
 | | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632 | | 分子名称: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, Rho-associated protein kinase 2 | | 著者 | Yamaguchi, H, Miwa, Y, Kasa, M, Kitano, K, Amano, M, Kaibuchi, K, Hakoshima, T. | | 登録日 | 2006-06-12 | | 公開日 | 2006-12-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632
J.Biochem.(Tokyo), 140, 2006
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6NTP
 | | PTP1B Domain of PTP1B-LOV2 Chimera | | 分子名称: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1 | | 著者 | Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M. | | 登録日 | 2019-01-30 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
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3K3E
 | | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | | 分子名称: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | 登録日 | 2009-10-02 | | 公開日 | 2010-02-16 | | 最終更新日 | 2013-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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6NTX
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2H9E
 | | Crystal Structure of FXa/selectide/NAPC2 ternary complex | | 分子名称: | ACETATE ION, Anti-coagulant protein C2, Coagulation factor X heavy chain, ... | | 著者 | Murakami, M.T, Geiger, G, Tulinsky, A, Arni, R.K. | | 登録日 | 2006-06-09 | | 公開日 | 2007-02-13 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Intermolecular Interactions and Characterization of the Novel Factor Xa Exosite Involved in Macromolecular Recognition and Inhibition: Crystal Structure of Human Gla-domainless Factor Xa Complexed with the Anticoagulant Protein NAPc2 from the Hematophagous Nematode Ancylostoma caninum.
J.Mol.Biol., 366, 2007
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4REW
 | | Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex | | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | 著者 | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | 登録日 | 2014-09-24 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (4.58 Å) | | 主引用文献 | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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3BJC
 | | Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor | | 分子名称: | 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H. | | 登録日 | 2007-12-03 | | 公開日 | 2008-04-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
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6O06
 | | Extracellular factors prime enterovirus particles for uncoating | | 分子名称: | VP1, VP2, VP3 | | 著者 | Domanska, A, Ruokolainen, V, Pelliccia, M, Laajala, M, Butcher, S.J, Marjomaki, V.S. | | 登録日 | 2019-02-15 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation.
J.Virol., 93, 2019
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8DSV
 | | The structure of NicA2 in complex with N-methylmyosmine | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ... | | 著者 | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | | 登録日 | 2022-07-22 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
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8DQ7
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