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5DRW
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BU of 5drw by Molmil
Crystal structure of the BCR Fab fragment from subset #4 case CLL183
Descriptor: CLL183 BCR antibody heavy chain, CLL183 BCR antibody light chain
Authors:Minici, C, Degano, M.
Deposit date:2015-09-16
Release date:2016-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
5NBC
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BU of 5nbc by Molmil
Structure of Prokaryotic Transcription Factors
Descriptor: Ferric uptake regulation protein, MANGANESE (II) ION, ZINC ION
Authors:Perard, J, Carpentier, P, Michaud-Soret, I, Cavazza, C.
Deposit date:2017-03-01
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018
4S2S
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BU of 4s2s by Molmil
Crystal Structure of Fab fragment of monoclonal antibody RoAb13
Descriptor: RoAb13 Fab Heavy chain, RoAb13 Fab Light chain
Authors:Chain, B, Arnold, J, Akthar, S, Noursadeghi, M, Lapp, T, Ji, C, Naider, D, Zhang, Y, Govada, L, Saridakis, E, Chayen, N.E.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Linear Epitope in the N-Terminal Domain of CCR5 and Its Interaction with Antibody.
Plos One, 10, 2015
2L0Y
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BU of 2l0y by Molmil
Complex hMia40-hCox17
Descriptor: COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) pseudogene (COX17), Mitochondrial intermembrane space import and assembly protein 40
Authors:Bertini, I, Ciofi-Baffoni, S, Gallo, A.
Deposit date:2010-07-20
Release date:2010-11-24
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Molecular chaperone function of Mia40 triggers consecutive induced folding steps of the substrate in mitochondrial protein import.
Proc.Natl.Acad.Sci.USA, 107, 2010
5NHK
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BU of 5nhk by Molmil
Structure of Ferric uptake regulator from francisella tularensis with Iron
Descriptor: FE (III) ION, Ferric uptake regulation protein, ZINC ION
Authors:Perard, J, Arnaud, L, Carpentier, P, Michaud-Soret, I, Cavazza, C.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018
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
2OOZ
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BU of 2ooz by Molmil
Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group)
Descriptor: 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)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 (1.8 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
2OOH
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BU of 2ooh by Molmil
Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11
Descriptor: 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:Crichlow, G.V, Al-Abed, Y, Lolis, E.
Deposit date:2007-01-25
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 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
1LPK
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BU of 1lpk by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125.
Descriptor: 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION
Authors:Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
Deposit date:2002-05-08
Release date:2003-05-08
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1LQD
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BU of 1lqd by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45.
Descriptor: 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION
Authors:Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
Deposit date:2002-05-10
Release date:2003-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1LPG
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BU of 1lpg by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79.
Descriptor: Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
Authors:Schreuder, H.A, Brachvogel, V, Liesum, A.
Deposit date:2002-05-08
Release date:2003-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
1LPZ
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BU of 1lpz by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41.
Descriptor: 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION
Authors:Schreuder, H.A, Brachvogel, V, Liesum, A.
Deposit date:2002-05-08
Release date:2003-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Biol.Chem., 45, 2002
1LQE
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BU of 1lqe by Molmil
CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79.
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2002-05-10
Release date:2003-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
Authors:Muckelbauer, J.K, Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
4EMA
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BU of 4ema by Molmil
Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma
Authors:Liberato, M.V, Nascimento, A.S, Polikarpov, I.
Deposit date:2012-04-11
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
4EM9
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BU of 4em9 by Molmil
Human PPAR gamma in complex with nonanoic acids
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ...
Authors:Liberato, M.V, Nascimento, A.S, Polikarpov, I.
Deposit date:2012-04-11
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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