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3UGR
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BU of 3ugr by Molmil
AKR1C3 complex with indomethacin at pH 6.8
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ...
著者Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
登録日2011-11-02
公開日2012-08-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3UG8
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BU of 3ug8 by Molmil
AKR1C3 complex with indomethacin at pH 7.5
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ...
著者Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
登録日2011-11-02
公開日2012-08-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
2P7K
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BU of 2p7k by Molmil
Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (hexagonal form)
分子名称: CITRIC ACID, Glyoxalase family protein
著者Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
登録日2007-03-20
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
2P7Q
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BU of 2p7q by Molmil
Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid
分子名称: Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID
著者Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
登録日2007-03-20
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
3VOZ
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BU of 3voz by Molmil
Crystal structure of human glutaminase in complex with BPTES
分子名称: Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
2XYA
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BU of 2xya by Molmil
Non-covalent inhibtors of rhinovirus 3C protease.
分子名称: 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C
著者Petersen, J, Edman, K, Edfeldt, F, Johansson, C.
登録日2010-11-16
公開日2011-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Non-Covalent Inhibitors of Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 21, 2011
2OOW
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BU of 2oow by Molmil
MIF Bound to a Fluorinated OXIM Derivative
分子名称: 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Crichlow, G.V, Al-Abed, Y, Lolis, E.
登録日2007-01-26
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
1Q0B
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BU of 1q0b by Molmil
Crystal structure of the motor protein KSP in complex with ADP and monastrol
分子名称: ADENOSINE-5'-DIPHOSPHATE, ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, Kinesin-like protein KIF11, ...
著者Yan, Y, Sardana, V, Xu, B, Halczenko, W, Homnick, C, Buser, C.A, Hartman, G.D, Huber, H.E, Kuo, L.C.
登録日2003-07-15
公開日2004-01-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of a mitotic motor protein: where, how, and conformational consequences
J.Mol.Biol., 335, 2004
3VP2
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BU of 3vp2 by Molmil
Crystal structure of human glutaminase in complex with inhibitor 2
分子名称: 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ...
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VP0
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BU of 3vp0 by Molmil
Crystal structure of human glutaminase in complex with L-glutamine
分子名称: GLUTAMINE, Glutaminase kidney isoform, mitochondrial, ...
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VOY
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BU of 3voy by Molmil
Crystal structure of human glutaminase in apo form
分子名称: Glutaminase kidney isoform, mitochondrial, SULFATE ION
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VP3
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BU of 3vp3 by Molmil
Crystal structure of human glutaminase in complex with inhibitor 3
分子名称: 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ...
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VP1
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BU of 3vp1 by Molmil
Crystal structure of human glutaminase in complex with L-glutamate and BPTES
分子名称: GLUTAMIC ACID, Glutaminase kidney isoform, mitochondrial, ...
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PKJ
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BU of 3pkj by Molmil
Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
1TNQ
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BU of 1tnq by Molmil
STRUCTURES OF THE APO AND CALCIUM TROPONIN-C REGULATORY DOMAINS: THE MUSCLE CONTRACTION SWITCH
分子名称: CALCIUM ION, TROPONIN-C
著者Gagne, S.M, Sykes, B.D.
登録日1995-07-07
公開日1995-10-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structures of the troponin C regulatory domains in the apo and calcium-saturated states.
Nat.Struct.Biol., 2, 1995
3VP4
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BU of 3vp4 by Molmil
Crystal structure of human glutaminase in complex with inhibitor 4
分子名称: 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial
著者Thangavelu, K, Sivaraman, J.
登録日2012-02-23
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3IFB
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BU of 3ifb by Molmil
NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN
分子名称: INTESTINAL FATTY ACID BINDING PROTEIN
著者Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
登録日1998-10-16
公開日1998-10-21
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit.
J.Biomol.NMR, 9, 1997
2N7O
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BU of 2n7o by Molmil
NMR Structure of Peptide PG-990 in DPC micelles
分子名称: Peptide PG-990
著者Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
登録日2015-09-16
公開日2015-12-16
最終更新日2017-10-11
実験手法SOLUTION NMR
主引用文献Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
1CYN
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BU of 1cyn by Molmil
CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B
著者Mikol, V, Kallen, J, Walkinshaw, M.D.
登録日1995-05-22
公開日1996-01-29
最終更新日2018-09-12
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-Ray Structure of a Cyclophilin B/Cyclosporin Complex: Comparison with Cyclophilin a and Delineation of its Calcineurin-Binding Domain.
Proc.Natl.Acad.Sci.USA, 91, 1994
3PNW
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BU of 3pnw by Molmil
Crystal Structure of the tudor domain of human TDRD3 in complex with an anti-TDRD3 FAB
分子名称: FAB heavy chain, FAB light chain, Tudor domain-containing protein 3, ...
著者Loppnau, P, Tempel, W, Wernimont, A.K, Lam, R, Ravichandran, M, Adams-Cioaba, M.A, Persson, H, Sidhu, S.S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Cossar, D, Structural Genomics Consortium (SGC)
登録日2010-11-19
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献CDR-H3 Diversity Is Not Required for Antigen Recognition by Synthetic Antibodies.
J.Mol.Biol., 425, 2013
2N7N
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BU of 2n7n by Molmil
NMR structure of Peptide PG-989 in DPC micelles
分子名称: Peptide PG-989
著者Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
登録日2015-09-16
公開日2015-12-16
最終更新日2017-10-11
実験手法SOLUTION NMR
主引用文献Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
2N7T
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BU of 2n7t by Molmil
NMR structure of Peptide PG-992 in DPC micelles
分子名称: Peptide PG-992
著者Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
登録日2015-09-17
公開日2015-12-16
最終更新日2017-10-11
実験手法SOLUTION NMR
主引用文献Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.
J.Med.Chem., 58, 2015
2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
分子名称: Histone deacetylase complex subunit SAP18
著者McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
登録日2006-06-20
公開日2007-04-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006
2P7O
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BU of 2p7o by Molmil
Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (tetragonal form)
分子名称: Glyoxalase family protein, MANGANESE (II) ION
著者Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
登録日2007-03-20
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
4FL6
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BU of 4fl6 by Molmil
Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215
分子名称: Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
著者Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013

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