4CWN
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![BU of 4cwn by Molmil](/molmil-images/mine/4cwn) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWT
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![BU of 4cwt by Molmil](/molmil-images/mine/4cwt) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWQ
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![BU of 4cwq by Molmil](/molmil-images/mine/4cwq) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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2NW4
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![BU of 2nw4 by Molmil](/molmil-images/mine/2nw4) | Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929 | 分子名称: | 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor | 著者 | Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G. | 登録日 | 2006-11-14 | 公開日 | 2006-12-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats. Endocrinology, 148, 2007
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6HKJ
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![BU of 6hkj by Molmil](/molmil-images/mine/6hkj) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic 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 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-09-06 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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4NLK
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![BU of 4nlk by Molmil](/molmil-images/mine/4nlk) | Structure of human DNA polymerase beta complexed with 8BrG in the template base-paired with incoming non-hydrolyzable CTP | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', ... | 著者 | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | 登録日 | 2013-11-14 | 公開日 | 2014-01-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | 主引用文献 | Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
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3RV5
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![BU of 3rv5 by Molmil](/molmil-images/mine/3rv5) | Crystal structure of human cardiac troponin C regulatory domain in complex with cadmium and deoxycholic acid | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CADMIUM ION, CALCIUM ION, ... | 著者 | Li, A.Y, Lee, J, Borek, D, Otwinowski, Z, Tibbits, G, Paetzel, M. | 登録日 | 2011-05-06 | 公開日 | 2011-08-31 | 最終更新日 | 2011-11-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of cardiac troponin C regulatory domain in complex with cadmium and deoxycholic Acid reveals novel conformation. J.Mol.Biol., 413, 2011
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7VMY
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![BU of 7vmy by Molmil](/molmil-images/mine/7vmy) | Crystal structure of LimF prenyltransferase bound with GSPP | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, ... | 著者 | Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | 登録日 | 2021-10-09 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates Nat Catal, 2022
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2KKY
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![BU of 2kky by Molmil](/molmil-images/mine/2kky) | Solution Structure of C-terminal domain of oxidized NleG2-3 (residue 90-191) from Pathogenic E. coli O157:H7. Northeast Structural Genomics Consortium and Midwest Center for Structural Genomics target ET109A | 分子名称: | Uncharacterized protein ECs2156 | 著者 | Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Claude, M, Singer, A, Edwards, A, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP) | 登録日 | 2009-06-29 | 公開日 | 2009-08-25 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | NleG Type 3 effectors from enterohaemorrhagic Escherichia coli are U-Box E3 ubiquitin ligases. Plos Pathog., 6, 2010
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4M9Q
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![BU of 4m9q by Molmil](/molmil-images/mine/4m9q) | Crystal structure of C-terminally truncated Arl13B from Chlamydomonas rheinhardtii bound to GppNHp | 分子名称: | ARF-like GTPase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Miertzschke, M, Koerner, C, Spoerner, M, Wittinghofer, A. | 登録日 | 2013-08-15 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into the small G-protein Arl13B and implications for Joubert syndrome. Biochem.J., 457, 2014
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6H7Z
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![BU of 6h7z by Molmil](/molmil-images/mine/6h7z) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-07-31 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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5V61
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![BU of 5v61 by Molmil](/molmil-images/mine/5v61) | Phospho-ERK2 bound to bivalent inhibitor SBP2 | 分子名称: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ... | 著者 | Lechtenberg, B.C, Riedl, S.J. | 登録日 | 2017-03-15 | 公開日 | 2017-07-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
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3PDV
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1STQ
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![BU of 1stq by Molmil](/molmil-images/mine/1stq) | Cyrstal Structure of Cytochrome c Peroxidase Mutant: CcPK2M3 | 分子名称: | Cytochrome c peroxidase, mitochondrial, POTASSIUM ION, ... | 著者 | Barrows, T.P, Bhaskar, B, Poulos, T.L. | 登録日 | 2004-03-25 | 公開日 | 2004-07-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Electrostatic control of the tryptophan radical in cytochrome c peroxidase. Biochemistry, 43, 2004
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2K8J
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3MVC
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![BU of 3mvc by Molmil](/molmil-images/mine/3mvc) | High resolution crystal structure of the heme domain of GLB-6 from C. elegans | 分子名称: | Globin protein 6, NITRATE ION, PRASEODYMIUM ION, ... | 著者 | Yoon, J, Herzik Jr, M.A, Winter, M.B, Tran, R, Olea Jr, C, Marletta, M.A. | 登録日 | 2010-05-03 | 公開日 | 2010-06-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | 主引用文献 | Structure and properties of a bis-histidyl ligated globin from Caenorhabditis elegans. Biochemistry, 49, 2010
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1I46
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![BU of 1i46 by Molmil](/molmil-images/mine/1i46) | |
1CPR
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![BU of 1cpr by Molmil](/molmil-images/mine/1cpr) | ST. LOUIS CYTOCHROME C' FROM THE PURPLE PHOTOTROPIC BACTERIUM, RHODOBACTER CAPSULATUS | 分子名称: | CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE, ZINC ION | 著者 | Tahirov, T.H, Misaki, S, Meyer, T.E, Cusanovich, M.A, Yasuoka, N. | 登録日 | 1996-04-09 | 公開日 | 1997-01-27 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of cytochrome c' from Rhodobacter capsulatus strain St Louis: an unusual molecular association induced by bridging Zn ions. Acta Crystallogr.,Sect.D, 53, 1997
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3Q6U
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![BU of 3q6u by Molmil](/molmil-images/mine/3q6u) | Structure of the apo MET receptor kinase in the dually-phosphorylated, activated state | 分子名称: | Hepatocyte growth factor receptor | 著者 | Soisson, S.M, Rickert, K.W, Patel, S.B, Allison, T, Lumb, K.J. | 登録日 | 2011-01-03 | 公開日 | 2011-01-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis for selective small molecule kinase inhibition of activated c-Met. J.Biol.Chem., 286, 2011
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1XSF
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![BU of 1xsf by Molmil](/molmil-images/mine/1xsf) | Solution structure of a resuscitation promoting factor domain from Mycobacterium tuberculosis | 分子名称: | Probable resuscitation-promoting factor rpfB | 著者 | Cohen-Gonsaud, M, Barthe, P, Henderson, B, Ward, J, Roumestand, C, Keep, N.H. | 登録日 | 2004-10-19 | 公開日 | 2005-02-15 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | The structure of a resuscitation-promoting factor domain from Mycobacterium tuberculosis shows homology to lysozymes Nat.Struct.Mol.Biol., 12, 2005
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1I4B
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2CAX
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![BU of 2cax by Molmil](/molmil-images/mine/2cax) | STRUCTURAL BASIS FOR COOPERATIVE BINDING OF RIBBON-HELIX-HELIX REPRESSOR OMEGA TO MUTATED DIRECT DNA HEPTAD REPEATS | 分子名称: | 5'-D(*CP*TP*TP*GP*TP*GP*AP*CP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*AP *TP*CP*AP*CP*AP*AP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*GP *TP*CP*AP*CP*AP*AP*GP*C)-3', ... | 著者 | Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W. | 登録日 | 2005-12-23 | 公開日 | 2006-03-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription. Nucleic Acids Res., 34, 2006
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4CDC
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![BU of 4cdc by Molmil](/molmil-images/mine/4cdc) | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | 分子名称: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | 登録日 | 2013-10-31 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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1LL9
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![BU of 1ll9 by Molmil](/molmil-images/mine/1ll9) | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin | 分子名称: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase | 著者 | Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K. | 登録日 | 2002-04-26 | 公開日 | 2002-10-02 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Using steric hindrance to design new inhibitors of class C beta-lactamases. Chem.Biol., 9, 2002
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1A2X
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![BU of 1a2x by Molmil](/molmil-images/mine/1a2x) | COMPLEX OF TROPONIN C WITH A 47 RESIDUE (1-47) FRAGMENT OF TROPONIN I | 分子名称: | CALCIUM ION, TROPONIN C, TROPONIN I | 著者 | Vassylyev, D.G, Takeda, S, Wakatsuki, S, Maeda, K, Maeda, Y. | 登録日 | 1998-01-13 | 公開日 | 1998-07-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of troponin C in complex with troponin I fragment at 2.3-A resolution. Proc.Natl.Acad.Sci.USA, 95, 1998
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