3DJ6
 
 | | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823. | | 分子名称: | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6 | | 著者 | Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | | 登録日 | 2008-06-22 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | New fragment-based drug discovery
To be Published
|
|
1TEC
 | | CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C | | 分子名称: | CALCIUM ION, EGLIN C, SODIUM ION, ... | | 著者 | Gros, P, Dijkstra, B.W, Hol, W.G.J. | | 登録日 | 1989-05-24 | | 公開日 | 1989-10-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
|
|
2OEY
 | | Solution Structure of a Designed Spirocyclic Helical Ligand Binding at a Two-Base Bulge Site in DNA | | 分子名称: | (1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE, DNA (25-MER) | | 著者 | Zhang, N, Lin, Y, Xiao, Z, Jones, G.B, Goldberg, I.H. | | 登録日 | 2007-01-01 | | 公開日 | 2007-04-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of a Designed Spirocyclic Helical Ligand Binding at a Two-Base Bulge Site in DNA.
Biochemistry, 46, 2007
|
|
3SXE
 | |
1C9A
 | | SOLUTION STRUCTURE OF NEUROMEDIN B | | 分子名称: | NEUROMEDIN B | | 著者 | Lee, S, Kim, Y. | | 登録日 | 1999-08-01 | | 公開日 | 1999-11-11 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of neuromedin B by (1)H nuclear magnetic resonance spectroscopy.
FEBS Lett., 460, 1999
|
|
3NAN
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg | | 分子名称: | (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | 登録日 | 2010-06-02 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
|
|
4J69
 | | Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set | | 分子名称: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic, SULFATE ION | | 著者 | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | | 登録日 | 2013-02-11 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | DRoP: A program for analysis of water structure on protein surfaces
to be published
|
|
2BP2
 | | THE STRUCTURE OF BOVINE PANCREATIC PROPHOSPHOLIPASE A2 AT 3.0 ANGSTROMS RESOLUTION | | 分子名称: | PHOSPHOLIPASE A2 | | 著者 | Dijkstra, B.W, Vannes, G.J.H, Kalk, K.H, Brandenburg, N.P, Hol, W.G.J, Drenth, J. | | 登録日 | 1981-06-05 | | 公開日 | 1981-07-16 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Structure of Bovine Pancreatic Prophospholipase A2 at 3.0 Angstroms Resolution
Acta Crystallogr.,Sect.B, 38, 1982
|
|
4NOX
 | | Structure of the nine-bladed beta-propeller of eIF3b | | 分子名称: | CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit B | | 著者 | Liu, Y, Neumann, P, Kuhle, B, Monecke, T, Ficner, R. | | 登録日 | 2013-11-20 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.722 Å) | | 主引用文献 | Translation initiation factor eIF3b contains a nine-bladed beta-propeller and interacts with the 40S ribosomal subunit
Structure, 22, 2014
|
|
4MQT
 | | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | | 著者 | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | | 登録日 | 2013-09-16 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
|
|
3CCN
 | | X-ray structure of c-Met with triazolopyridazine inhibitor. | | 分子名称: | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor | | 著者 | Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F. | | 登録日 | 2008-02-26 | | 公開日 | 2008-04-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
|
|
3OE6
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | | 著者 | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | 登録日 | 2010-08-12 | | 公開日 | 2010-10-27 | | 最終更新日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
|
|
3S7A
 | | Human dihydrofolate reductase binary complex with PT684 | | 分子名称: | 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid, Dihydrofolate reductase, SULFATE ION | | 著者 | Cody, V, Pace, J, Nowak, J. | | 登録日 | 2011-05-26 | | 公開日 | 2011-10-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural analysis of human dihydrofolate reductase as a binary complex with the potent and selective inhibitor 2,4-diamino-6-{2'-O-(3-carboxypropyl)oxydibenz[b,f]-azepin-5-yl}methylpteridine reveals an unusual binding mode.
Acta Crystallogr.,Sect.D, 67, 2011
|
|
3SEB
 | | STAPHYLOCOCCAL ENTEROTOXIN B | | 分子名称: | STAPHYLOCOCCAL ENTEROTOXIN B | | 著者 | Papageorgiou, A.C, Acharya, K.R. | | 登録日 | 1997-11-26 | | 公開日 | 1998-05-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystal structure of microbial superantigen staphylococcal enterotoxin B at 1.5 A resolution: implications for superantigen recognition by MHC class II molecules and T-cell receptors.
J.Mol.Biol., 277, 1998
|
|
1CIN
 | | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | | 分子名称: | (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | | 著者 | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | | 登録日 | 1993-10-20 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
|
|
1C98
 | | SOLUTION STRUCTURE OF NEUROMEDIN B | | 分子名称: | NEUROMEDIN B | | 著者 | Lee, S, Kim, Y. | | 登録日 | 1999-08-01 | | 公開日 | 1999-08-11 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of neuromedin B by (1)H nuclear magnetic resonance spectroscopy.
FEBS Lett., 460, 1999
|
|
2OJF
 | |
1CIL
 | | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, ZINC ION | | 著者 | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | | 登録日 | 1993-10-20 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
|
|
1P9F
 | |
2ZJT
 | |
1DFW
 | | CONFORMATIONAL MAPPING OF THE N-TERMINAL SEGMENT OF SURFACTANT PROTEIN B IN LIPID USING 13C-ENHANCED FOURIER TRANSFORM INFRARED SPECTROSCOPY (FTIR) | | 分子名称: | LUNG SURFACTANT PROTEIN B | | 著者 | Gordon, L.M, Lee, K.Y.C, Lipp, M.M, Zasadzinski, J.A, Walther, F.J, Sherman, M.A, Waring, A.J. | | 登録日 | 1999-11-22 | | 公開日 | 1999-12-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | INFRARED SPECTROSCOPY | | 主引用文献 | Conformational mapping of the N-terminal segment of surfactant protein B in lipid using 13C-enhanced Fourier transform infrared spectroscopy.
J.Pept.Res., 55, 2000
|
|
2OH0
 | |
3NAL
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB | | 分子名称: | (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | 登録日 | 2010-06-02 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
|
|
3NAM
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg | | 分子名称: | (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | 登録日 | 2010-06-02 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
|
|
2JUU
 | | allo-ThrA3 DKP-insulin | | 分子名称: | Insulin A chain, Insulin B chain | | 著者 | Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A. | | 登録日 | 2007-09-03 | | 公開日 | 2007-10-16 | | 最終更新日 | 2021-10-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
|
|
