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3UGR
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BU of 3ugr by Molmil
AKR1C3 complex with indomethacin at pH 6.8
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ...
Authors:Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
Deposit date:2011-11-02
Release date:2012-08-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ...
Authors:Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
Deposit date:2011-11-02
Release date:2012-08-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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)
Descriptor: CITRIC ACID, Glyoxalase family protein
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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.
Descriptor: 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C
Authors:Petersen, J, Edman, K, Edfeldt, F, Johansson, C.
Deposit date:2010-11-16
Release date:2011-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Crichlow, G.V, Al-Abed, Y, Lolis, E.
Deposit date:2007-01-26
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, Kinesin-like protein KIF11, ...
Authors:Yan, Y, Sardana, V, Xu, B, Halczenko, W, Homnick, C, Buser, C.A, Hartman, G.D, Huber, H.E, Kuo, L.C.
Deposit date:2003-07-15
Release date:2004-01-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: GLUTAMINE, Glutaminase kidney isoform, mitochondrial, ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Glutaminase kidney isoform, mitochondrial, SULFATE ION
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: GLUTAMIC ACID, Glutaminase kidney isoform, mitochondrial, ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors: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)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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
Descriptor: CALCIUM ION, TROPONIN-C
Authors:Gagne, S.M, Sykes, B.D.
Deposit date:1995-07-07
Release date:1995-10-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN
Authors:Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:1998-10-16
Release date:1998-10-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite: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
Descriptor: Peptide PG-990
Authors:Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
Deposit date:2015-09-16
Release date:2015-12-16
Last modified:2017-10-11
Method:SOLUTION NMR
Cite: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
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-05-22
Release date:1996-01-29
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: FAB heavy chain, FAB light chain, Tudor domain-containing protein 3, ...
Authors: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)
Deposit date:2010-11-19
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Peptide PG-989
Authors:Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
Deposit date:2015-09-16
Release date:2015-12-16
Last modified:2017-10-11
Method:SOLUTION NMR
Cite: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
Descriptor: Peptide PG-992
Authors:Carotenuto, A, Merlino, F, Chai, M, Brancaccio, D, Yousif, A, Novellino, E, Hruby, V, Grieco, P.
Deposit date:2015-09-17
Release date:2015-12-16
Last modified:2017-10-11
Method:SOLUTION NMR
Cite: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
Descriptor: Histone deacetylase complex subunit SAP18
Authors:McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
Deposit date:2006-06-20
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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)
Descriptor: Glyoxalase family protein, MANGANESE (II) ION
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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
Descriptor: 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}
Authors: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)
Deposit date:2012-06-14
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013

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