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1REK
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Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8
分子名称: 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE, PENTANAL, cAMP-dependent protein kinase, ...
著者Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
登録日2003-11-06
公開日2004-02-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
1TB3
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BU of 1tb3 by Molmil
Crystal Structure Analysis of Recombinant Rat Kidney Long-chain Hydroxy Acid Oxidase
分子名称: ACETIC ACID, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 3
著者Cunane, L.M, Barton, J.D, Chen, Z.W, Le, K.H.D, Amar, D, Lederer, F, Mathews, F.S.
登録日2004-05-19
公開日2005-02-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure Analysis of Recombinant Rat Kidney Long Chain Hydroxy Acid Oxidase.
Biochemistry, 44, 2005
2WMW
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BU of 2wmw by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMT
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BU of 2wmt by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMV
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BU of 2wmv by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMS
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BU of 2wms by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMX
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BU of 2wmx by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMQ
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BU of 2wmq by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMR
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BU of 2wmr by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMU
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BU of 2wmu by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
1KCY
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BU of 1kcy by Molmil
NMR solution structure of apo calbindin D9k (F36G + P43M mutant)
分子名称: calbindin D9k
著者Nelson, M.R, Thulin, E, Fagan, P.A, Forsen, S, Chazin, W.J.
登録日2001-11-12
公開日2001-11-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The EF-hand domain: a globally cooperative structural unit.
Protein Sci., 11, 2002
1L2Z
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BU of 1l2z by Molmil
CD2BP2-GYF domain in complex with proline-rich CD2 tail segment peptide
分子名称: CD2 ANTIGEN (CYTOPLASMIC TAIL)-BINDING PROTEIN 2, T-CELL SURFACE ANTIGEN CD2
著者Freund, C, Kuhne, R, Yang, H, Park, S, Reinherz, E.L, Wagner, G.
登録日2002-02-26
公開日2002-11-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Dynamic interaction of CD2 with the GYF and the SH3 domain of compartmentalized effector molecules
Embo J., 21, 2002
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3FZW
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BU of 3fzw by Molmil
Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin
分子名称: EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Caaveiro, J.M.M, Ringe, D, Petsko, G.A.
登録日2009-01-26
公開日2009-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Hydrogen bond coupling in the ketosteroid isomerase active site.
Biochemistry, 48, 2009
2JOR
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BU of 2jor by Molmil
NMR Solution Structure, Stability, and Interaction of the Recombinant Bovine Fibrinogen alphaC-Domain Fragment
分子名称: Fibrinogen alpha chain
著者Burton, R.A, Tsurupa, G, Roy, H, Nico, T, Leonid, M.
登録日2007-03-20
公開日2007-08-07
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献NMR Solution Structure, Stability, and Interaction of the Recombinant Bovine Fibrinogen alphaC-Domain Fragment
Biochemistry, 46, 2007
5FXT
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BU of 5fxt by Molmil
Crystal Structure of Helicobacter pylori beta clamp in complex with Carprofen
分子名称: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, DNA POLYMERASE III SUBUNIT BETA
著者Pandey, P, Gourinath, S.
登録日2016-03-02
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
5EKF
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BU of 5ekf by Molmil
Crystallization and X-ray Diffraction Data Collection of Importin-alpha from Mus musculus Complexed with a XPG NLS Peptide, fragment 1
分子名称: DNA repair protein complementing XP-G cells, Importin subunit alpha-1
著者Barros, A.C, Takeda, A.A.S, Fontes, M.R.M.
登録日2015-11-03
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Calorimetric Studies Demonstrate that Xeroderma Pigmentosum Type G (XPG) Can Be Imported to the Nucleus by a Classical Nuclear Import Pathway via a Monopartite NLS Sequence.
J.Mol.Biol., 428, 2016
5EKG
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BU of 5ekg by Molmil
Crystallization and X-ray Diffraction Data Collection of Importin-alpha from Mus musculus Complexed with a XPG NLS Peptide, fragment 2
分子名称: Importin subunit alpha-1, XPG2 peptide
著者Barros, A.C, Takeda, A.A.S, Fontes, M.R.M.
登録日2015-11-03
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Calorimetric Studies Demonstrate that Xeroderma Pigmentosum Type G (XPG) Can Be Imported to the Nucleus by a Classical Nuclear Import Pathway via a Monopartite NLS Sequence.
J.Mol.Biol., 428, 2016
2GWS
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BU of 2gws by Molmil
Crystal Structure of human DNA Polymerase lambda with a G/G mismatch in the primer terminus
分子名称: 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*G)-3', ...
著者Garcia-Diaz, M, Picher, A.J, Bebenek, K, Pedersen, L.C, Kunkel, T.A, Blanco, L.
登録日2006-05-05
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous mismatch extension by human DNA polymerase lambda.
Nucleic Acids Res., 34, 2006
2HQW
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BU of 2hqw by Molmil
Crystal Structure of Ca2+/Calmodulin bound to NMDA Receptor NR1C1 peptide
分子名称: CALCIUM ION, Calmodulin, Glutamate NMDA receptor subunit zeta 1
著者Akyol, Z, Gakhar, L, Sorensen, B.R, Hell, J.H, Shea, M.A.
登録日2006-07-19
公開日2007-11-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The NMDA Receptor NR1 C1 Region Bound to Calmodulin: Structural Insights into Functional Differences between Homologous Domains.
Structure, 15, 2007
1Y0T
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BU of 1y0t by Molmil
T-to-T(High) Quaternary Transitions in Human Hemoglobin: betaV1M deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-16
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1Y31
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T-To-T(High) quaternary transitions in human hemoglobin: betaY35A deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-23
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1Y35
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T-To-T(High) quaternary transitions in human hemoglobin: betaY35F deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-23
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005

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