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4COX
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BU of 4cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, INDOMETHACIN, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
4CSM
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BU of 4csm by Molmil
YEAST CHORISMATE MUTASE + TYR + ENDOOXABICYCLIC INHIBITOR
分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE, TYROSINE
著者Straeter, N, Schnappauf, G, Braus, G, Lipscomb, W.N.
登録日1997-07-14
公開日1998-01-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanisms of catalysis and allosteric regulation of yeast chorismate mutase from crystal structures.
Structure, 5, 1997
4CYH
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BU of 4cyh by Molmil
CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE HIS-PRO
分子名称: CYCLOPHILIN A, HISTIDINE, PROLINE
著者Zhao, Y, Ke, H.
登録日1996-02-27
公開日1996-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic implication of crystal structures of the cyclophilin-dipeptide complexes.
Biochemistry, 35, 1996
2J3Q
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BU of 2j3q by Molmil
Torpedo acetylcholinesterase complexed with fluorophore thioflavin T
分子名称: 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Harel, M, Cusack, B, Johnson, J.L, Silman, I, Sussman, J.L, Rosenberry, T.L.
登録日2006-08-23
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of thioflavin T bound to the peripheral site of Torpedo californica acetylcholinesterase reveals how thioflavin T acts as a sensitive fluorescent reporter of ligand binding to the acylation site.
J. Am. Chem. Soc., 130, 2008
2IOM
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BU of 2iom by Molmil
Mouse p53 core domain soaked with 2-propanol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ISOPROPYL ALCOHOL, ...
著者Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
登録日2006-10-10
公開日2006-12-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
4CRX
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BU of 4crx by Molmil
ASYMMETRIC DNA-BENDING IN THE CRE-LOXP SITE-SPECIFIC RECOMBINATION SYNAPSE
分子名称: DNA (35 NUCLEOTIDE CRE RECOGNITION SITE), PROTEIN (CRE RECOMBINASE)
著者Guo, F, Gopaul, D.N, Van Duyne, G.D.
登録日1999-04-20
公開日1999-06-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Asymmetric DNA bending in the Cre-loxP site-specific recombination synapse.
Proc.Natl.Acad.Sci.USA, 96, 1999
2ISL
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BU of 2isl by Molmil
BluB bound to reduced flavin (FMNH2) and molecular oxygen. (clear crystal form)
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB, OXYGEN MOLECULE
著者Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C.
登録日2006-10-17
公開日2007-03-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
4CTB
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BU of 4ctb by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20- tetrahydro-7,11-(azeno)pyrido(2',1':2,3)imidazo(4,5-h)(2,5,11) benzoxadiazacyclotetradecine-14-carbonitrile
分子名称: (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E.
登録日2014-03-12
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
2IW3
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BU of 2iw3 by Molmil
Elongation Factor 3 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ELONGATION FACTOR 3A, SULFATE ION
著者Andersen, C.B.F, Becker, T, Blau, M, Anand, M, Halic, M, Balar, B, Mielke, T, Boesen, T, Pedersen, J.S, Spahn, C.M.T, Kinzy, T.G, Andersen, G.R, Beckmann, R.
登録日2006-06-26
公開日2006-08-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Eef3 and the Mechanism of Transfer RNA Release from the E-Site.
Nature, 443, 2006
4LNL
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BU of 4lnl by Molmil
Structure of Escherichia coli Threonine Aldolase in Complex with Allo-Thr
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Low-specificity L-threonine aldolase, ...
著者Safo, M.K.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
2J6E
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BU of 2j6e by Molmil
Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ...
著者Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J.
登録日2006-09-28
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation.
J.Mol.Biol., 368, 2007
2J3J
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BU of 2j3j by Molmil
Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex I
分子名称: 4'-HYDROXYCINNAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase
著者Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C.
登録日2006-08-21
公開日2006-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970.
J. Biol. Chem., 281, 2006
2J3W
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BU of 2j3w by Molmil
The crystal structure of the bet3-trs31-sedlin complex.
分子名称: PALMITIC ACID, TRAFFICKING PROTEIN PARTICLE COMPLEX PROTEIN 2, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3, ...
著者Kim, Y.-G, Oh, B.-H.
登録日2006-08-23
公開日2006-11-27
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Architecture of the Multisubunit Trapp I Complex Suggests a Model for Vesicle Tethering.
Cell(Cambridge,Mass.), 127, 2006
2J96
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BU of 2j96 by Molmil
The E-configuration of alfa-Phycoerythrocyanin
分子名称: PHYCOERYTHROCYANIN ALPHA CHAIN, PHYCOVIOLOBILIN
著者Schmidt, M, Patel, A, Zhao, Y, Reuter, W.
登録日2006-11-02
公開日2007-01-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Basis for the Photochemistry of Alfa-Phycoerythrocyanin
Biochemistry, 46, 2007
2IDB
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BU of 2idb by Molmil
Crystal Structure of 3-octaprenyl-4-hydroxybenzoate decarboxylase (UbiD) from Escherichia coli, Northeast Structural Genomics Target ER459.
分子名称: 1,2-ETHANEDIOL, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, PENTAETHYLENE GLYCOL
著者Zhou, W, Forouhar, F, Seetharaman, J, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-14
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of 3-octaprenyl-4-hydroxybenzoate decarboxylase (UbiD) from Escherichia coli, Northeast Structural Genomics Target ER459.
TO BE PUBLISHED
2IGF
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BU of 2igf by Molmil
CRYSTAL STRUCTURES OF AN ANTIBODY TO A PEPTIDE AND ITS COMPLEX WITH PEPTIDE ANTIGEN AT 2.8 ANGSTROMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IGG1-KAPPA B13I2 FAB (HEAVY CHAIN), IGG1-KAPPA B13I2 FAB (LIGHT CHAIN), ...
著者Stanfield, R.L, Wilson, I.A.
登録日1991-03-21
公開日1992-04-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of an antibody to a peptide and its complex with peptide antigen at 2.8 A.
Science, 248, 1990
4LNJ
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BU of 4lnj by Molmil
Structure of Escherichia coli Threonine Aldolase in Unliganded Form
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low-specificity L-threonine aldolase, ...
著者Safo, M.K, Contestabile, R, Remesh, S.G.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
2ISK
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BU of 2isk by Molmil
BluB bound to flavin anion (charge transfer complex)
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB
著者Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C.
登録日2006-10-17
公開日2007-03-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
2IN8
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BU of 2in8 by Molmil
crystal structure of Mtu recA intein, splicing domain
分子名称: Endonuclease PI-MtuI, SULFATE ION
著者Van Roey, P.
登録日2006-10-06
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue.
J.Mol.Biol., 367, 2007
2IUX
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BU of 2iux by Molmil
Human tACE mutant g1234
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Watermeyer, J.M, Swell, B.T, Natesh, R, Corradi, H.R, Acharya, K.R, Sturrock, E.D.
登録日2006-06-07
公開日2006-10-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement.
Biochemistry, 45, 2006
2INT
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BU of 2int by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-4
分子名称: INTERLEUKIN-4
著者Walter, M.R, Cook, W.J, Zhao, B.G, Cameron Junior, R, Ealick, S.E, Walter Junior, R.L, Reichert, P, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E.
登録日1993-07-22
公開日1994-01-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of recombinant human interleukin-4.
J.Biol.Chem., 267, 1992
2IOB
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E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein
分子名称: Bifunctional glutathionylspermidine synthetase/amidase
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
4D8N
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BU of 4d8n by Molmil
Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency
分子名称: 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium, Kallikrein-6
著者Chen, X, Xia, T, Wang, R.
登録日2012-01-11
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Bioorg.Med.Chem.Lett., 22, 2012
4NB8
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BU of 4nb8 by Molmil
Oxygenase with Ile262 replaced by Leu and ferredoxin complex of carbazole 1,9a-dioxygenase
分子名称: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ...
著者Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
登録日2013-10-23
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
2IFV
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BU of 2ifv by Molmil
Crystal structure of an active site mutant, C473D, of CDC25B phosphatase catalytic domain
分子名称: CHLORIDE ION, M-phase inducer phosphatase 2
著者Rudolph, J, Buhrman, G.
登録日2006-09-21
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and structural studies of specific protein-protein interactions in substrate catalysis by Cdc25B phosphatase.
Biochemistry, 46, 2007

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