3ECV
 
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2J4Z
 | | Structure of Aurora-2 in complex with PHA-680626 | | 分子名称: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6 | | 著者 | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | 登録日 | 2006-09-08 | | 公開日 | 2006-11-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
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2IO6
 | | Wee1 kinase complexed with inhibitor PD330961 | | 分子名称: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | | 著者 | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | 登録日 | 2006-10-10 | | 公開日 | 2007-09-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
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5EI9
 | | Human PRDM9 allele-A ZnF Domain with Associated Recombination Hotspot DNA Sequence I | | 分子名称: | DNA (5'-D(*AP*TP*CP*CP*AP*CP*GP*TP*GP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*TP*CP*CP*CP*TP*AP*GP*CP*CP*AP*CP*GP*TP*GP*GP*A)-3'), Histone-lysine N-methyltransferase PRDM9, ... | | 著者 | Patel, A, Horton, J.R, Wilson, G.G, Zhang, X, Cheng, X. | | 登録日 | 2015-10-29 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.921 Å) | | 主引用文献 | Structural basis for human PRDM9 action at recombination hot spots.
Genes Dev., 30, 2016
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2INS
 | | THE STRUCTURE OF DES-PHE B1 BOVINE INSULIN | | 分子名称: | DES-PHE B1 INSULIN (CHAIN A), DES-PHE B1 INSULIN (CHAIN B), ZINC ION | | 著者 | Smith, G.D, Duax, W.L, Dodson, E.J, Dodson, G.G, Degraaf, R.A.G, Reynolds, C.D. | | 登録日 | 1982-05-10 | | 公開日 | 1982-08-05 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Structure of Des-Phe B1 Bovine Insulin
Acta Crystallogr.,Sect.B, 38, 1982
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5EKI
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3EGN
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5EEA
 | | Structure of HOXB13-DNA(CAA) complex | | 分子名称: | DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13 | | 著者 | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | 登録日 | 2015-10-22 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | | 主引用文献 | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
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6YTW
 | | CLK3 bound with benzothiazole Tg003 (Cpd 2) | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6YTY
 | | CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3 | | 著者 | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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3ECU
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2IUH
 | | Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with c-Kit phosphotyrosyl peptide | | 分子名称: | C-KIT PHOSPHOTYROSYL PEPTIDE, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA SUBUNIT | | 著者 | Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C. | | 登録日 | 2006-06-03 | | 公開日 | 2006-06-06 | | 最終更新日 | 2021-04-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of the Pi 3-Kinase P85 Amino-Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
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3EKD
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3ED9
 | | Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [30 min] | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-09-02 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3EL1
 | | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | | 分子名称: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2008-09-19 | | 公開日 | 2009-09-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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2IEO
 | | Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017) | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Protease, ... | | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | 登録日 | 2006-09-19 | | 公開日 | 2006-10-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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6Z1Q
 | | MAP3K14 (NIK) in complex with DesF-3R/4076 | | 分子名称: | DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14 | | 著者 | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | | 登録日 | 2020-05-14 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma
Future Drug Discov, 2, 2020
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3EG0
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2J8B
 | | High resolution structure of human CD59 | | 分子名称: | CD59 GLYCOPROTEIN | | 著者 | Leath, K.J, Johnson, S, Roversi, P, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | 登録日 | 2006-10-24 | | 公開日 | 2007-08-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | High-Resolution Structures of Bacterially Expressed Soluble Human Cd59.
Acta Crystallogr.,Sect.F, 63, 2007
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5EQM
 | | Crystal structure of murine neuroglobin at 310 MPa pressure | | 分子名称: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | 登録日 | 2015-11-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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5EDT
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9 | | 分子名称: | 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C. | | 登録日 | 2015-10-22 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
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2IL1
 | | Crystal structure of a predicted human GTPase in complex with GDP | | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2006-10-02 | | 公開日 | 2006-10-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of a predicted human GTPase in complex with GDP
To be Published
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5EGB
 | | Human PRDM9 allele-A ZnF Domain with Associated Recombination Hotspot DNA Sequence II | | 分子名称: | DNA (5'-D(*AP*CP*CP*AP*CP*GP*TP*GP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*CP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*GP*CP*CP*TP*CP*CP*CP*TP*AP*GP*CP*CP*AP*CP*GP*TP*GP*G)-3'), Histone-lysine N-methyltransferase PRDM9, ... | | 著者 | Patel, A, Horton, J.R, Wilson, G.G, Zhang, X, Cheng, X. | | 登録日 | 2015-10-26 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | | 主引用文献 | Structural basis for human PRDM9 action at recombination hot spots.
Genes Dev., 30, 2016
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5EHL
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Dual specificity protein kinase TTK | | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | 登録日 | 2015-10-28 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
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6Z7Z
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