1M2S
 
 | | Solution Structure of A New Potassium Channels Blocker from the Venom of Chinese Scorpion Buthus martensi Karsch | | 分子名称: | Toxin BmTX3 | | 著者 | Wang, Y, Li, M, Zhang, N, Wu, G, Hu, G, Wu, H. | | 登録日 | 2002-06-25 | | 公開日 | 2004-04-06 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of BmTx3B, a member of the scorpion toxin subfamily alpha-KTx 16
Proteins, 58, 2005
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6DXK
 | | Glucocorticoid Receptor in complex with Compound 11 | | 分子名称: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | | 著者 | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | | 登録日 | 2018-06-29 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
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6KGR
 | | LSD1-FCPA-MPE N5 adduct model | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Niwa, H, Sato, S, Handa, N, Umehara, T. | | 登録日 | 2019-07-12 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
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6KCZ
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7DMC
 | | Dipyridamole binds to the N-terminal domain of human Hsp90A | | 分子名称: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ... | | 著者 | Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N. | | 登録日 | 2020-12-03 | | 公開日 | 2021-12-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
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7DO1
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6M05
 | | Trimolecular G-quadruplex | | 分子名称: | DNA (5'-D(*GP*TP*TP*AP*GP*G)-3') | | 著者 | Jing, H.T, Fu, W.Q, Zhang, N. | | 登録日 | 2020-02-20 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance.
Nucleic Acids Res., 49, 2021
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7DME
 | | Solution structure of human Aha1 | | 分子名称: | Activator of 90 kDa heat shock protein ATPase homolog 1 | | 著者 | Hu, H, Zhou, C, Zhang, N. | | 登録日 | 2020-12-03 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
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7DMD
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6KGQ
 | | LSD1-FCPA-MPE five-membered ring adduct model | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Niwa, H, Sato, S, Handa, N, Umehara, T. | | 登録日 | 2019-07-12 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
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6A7Y
 | | Solution structure of an intermolecular leaped V-shape G-quadruplex | | 分子名称: | DNA (5'-D(*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*A)-3') | | 著者 | Wan, C.J, Zhang, N. | | 登録日 | 2018-07-05 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of an asymmetric intermolecular leaped V-shape G-quadruplex: selective recognition of the d(G2NG3NG4) sequence motif by a short linear G-rich DNA probe.
Nucleic Acids Res., 47, 2019
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5YVB
 | | Structure of CaMKK2 in complex with CKI-011 | | 分子名称: | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5YV9
 | | Structure of CaMKK2 in complex with CKI-009 | | 分子名称: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5YV8
 | | Structure of CaMKK2 in complex with CKI-002 | | 分子名称: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.927 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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3Q3J
 | | Crystal structure of plexin A2 RBD in complex with Rnd1 | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A2, ... | | 著者 | Wang, H, Tempel, W, Tong, Y, Guan, X, Shen, L, Buren, L, Zhang, N, Wernimont, A.K, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2010-12-21 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | | 主引用文献 | Crystal structure of plexin A2 RBD in complex with Rnd1
to be published
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1FPZ
 | | CRYSTAL STRUCTURE ANALYSIS OF KINASE ASSOCIATED PHOSPHATASE (KAP) WITH A SUBSTITUTION OF THE CATALYTIC SITE CYSTEINE (CYS140) TO A SERINE | | 分子名称: | CYCLIN-DEPENDENT KINASE INHIBITOR 3, SULFATE ION | | 著者 | Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D. | | 登録日 | 2000-09-01 | | 公開日 | 2001-05-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
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1ODX
 | | HIV-1 Proteinase mutant A71T, V82A | | 分子名称: | HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | 著者 | Kervinen, J, Thanki, N, Zdanov, A, Wlodawer, A. | | 登録日 | 1996-09-16 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
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5YVA
 | | Structure of CaMKK2 in complex with CKI-010 | | 分子名称: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2020-06-10 | | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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5YVC
 | | Structure of CaMKK2 in complex with CKI-012 | | 分子名称: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | 著者 | Niwa, H, Handa, N, Yokoyama, S. | | 登録日 | 2017-11-24 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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1FQ1
 | | CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-DEPENDENT KINASE INHIBITOR 3, ... | | 著者 | Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D. | | 登録日 | 2000-09-01 | | 公開日 | 2001-05-09 | | 最終更新日 | 2018-03-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
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3ML5
 | | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 7, ZINC ION | | 著者 | Di Fiore, A, Truppo, E, Supuran, C.T, Alterio, V, Dathan, N, Bootorabi, F, Parkkila, S, Monti, S.M, De Simone, G. | | 登録日 | 2010-04-16 | | 公開日 | 2011-03-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide
Bioorg.Med.Chem.Lett., 20, 2010
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3O16
 | | Crystal Structure of Bacillus subtilis Thiamin Phosphate Synthase K159A | | 分子名称: | Thiamine-phosphate pyrophosphorylase | | 著者 | McCulloch, K.M, Hanes, J.W, Abdelwahed, S, Mahanta, N, Hazra, A, Ishida, K, Begley, T.P, Ealick, S.E. | | 登録日 | 2010-07-20 | | 公開日 | 2011-07-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure and Kinetic Characterization of Bacillus subtilis Thiamin
Phosphate Synthase with a Carboxylated Thiazole Phosphate
to be published
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5NSR
 | | Cryo-EM structure of RNA polymerase-sigma54 holo enzyme with promoter DNA closed complex | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Glyde, R, Ye, F.Z, Darbari, V.C, Zhang, N, Buck, M, Zhang, X.D. | | 登録日 | 2017-04-26 | | 公開日 | 2017-06-28 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation.
Mol. Cell, 67, 2017
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5NWT
 | | Crystal Structure of Escherichia coli RNA polymerase - Sigma54 Holoenzyme complex | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Zhang, X, Buck, M, Darbari, V.C, Yang, Y, Zhang, N, Lu, D, Glyde, R, Wang, Y, Winkelman, J, Gourse, R.L, Murakami, K.S. | | 登録日 | 2017-05-08 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.76 Å) | | 主引用文献 | TRANSCRIPTION. Structures of the RNA polymerase-Sigma54 reveal new and conserved regulatory strategies.
Science, 349, 2015
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3PWV
 | | An immmunodominant CTL epitope from rinderpest virus presented by cattle MHC class I molecule N*01801 (BoLA-A11) | | 分子名称: | 9-mer peptide from Hemagglutinin, Beta-2-microglobulin, MHC class I antigen | | 著者 | Li, X, Liu, J, Qi, J, Gao, F, Li, Q, Li, X, Zhang, N, Xia, C, Gao, G.F. | | 登録日 | 2010-12-09 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.696 Å) | | 主引用文献 | Two distinct conformations of a rinderpest virus epitope presented by bovine major histocompatibility complex class I N*01801: a host strategy to present featured peptides
J.Virol., 85, 2011
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