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1BSX
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BU of 1bsx by Molmil
STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS
Descriptor: 3,5,3'TRIIODOTHYRONINE, PROTEIN (GRIP1), PROTEIN (THYROID HORMONE RECEPTOR BETA)
Authors:Wagner, R.L, Darimont, B.D, Apriletti, J.W, Stallcup, M.R, Kushner, P.J, Baxter, J.D, Fletterick, R.J, Yamamoto, K.R.
Deposit date:1998-08-31
Release date:1999-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure and specificity of nuclear receptor-coactivator interactions.
Genes Dev., 12, 1998
3HBV
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BU of 3hbv by Molmil
PrtC methionine mutants: M226A in-house
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-05
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3U2P
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BU of 3u2p by Molmil
Crystal structure of N-terminal three extracellular domains of ErbB4/Her4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Bouyain, S, Elgenbrot, C, Leahy, D.J.
Deposit date:2011-10-04
Release date:2011-11-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The ErbB4 extracellular region retains a tethered-like conformation in the absence of the tether.
Protein Sci., 21, 2012
2RMF
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BU of 2rmf by Molmil
Human Urocortin 1
Descriptor: Urocortin
Authors:Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
Deposit date:2007-10-16
Release date:2008-01-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
2RMG
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BU of 2rmg by Molmil
Human Urocortin 2
Descriptor: Urocortin-2
Authors:Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
Deposit date:2007-10-16
Release date:2008-01-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
3JPV
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BU of 3jpv by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand
Descriptor: 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
3U8J
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BU of 3u8j by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane)
Descriptor: 1-(pyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
Authors:Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
Deposit date:2011-10-17
Release date:2011-12-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
2H77
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BU of 2h77 by Molmil
Crystal structure of human TR alpha bound T3 in monoclinic space group
Descriptor: 3,5,3'TRIIODOTHYRONINE, THRA protein
Authors:Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I.
Deposit date:2006-06-01
Release date:2006-07-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.
J.Mol.Biol., 360, 2006
7EIP
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BU of 7eip by Molmil
Crystal structure of ligand-free chondroitin ABC lyase I
Descriptor: ACETATE ION, Chondroitin sulfate ABC endolyase, MAGNESIUM ION
Authors:Takashima, M, Miyanaga, A, Eguchi, T.
Deposit date:2021-03-31
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides.
Glycobiology, 31, 2021
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Descriptor: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
1K6L
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BU of 1k6l by Molmil
Photosynethetic Reaction Center from Rhodobacter sphaeroides
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M.
Deposit date:2001-10-16
Release date:2002-08-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
2HEY
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BU of 2hey by Molmil
Crystal structure of murine OX40L bound to human OX40
Descriptor: SULFATE ION, Tumor necrosis factor ligand superfamily member 4, Tumor necrosis factor receptor superfamily member 4
Authors:Hymowitz, S.G.
Deposit date:2006-06-22
Release date:2006-08-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of the Costimulatory OX40-OX40L Complex.
Structure, 14, 2006
1K6N
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BU of 1k6n by Molmil
E(L212)A,D(L213)A Double Mutant Structure of Photosynthetic Reaction Center from Rhodobacter Sphaeroides
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M.
Deposit date:2001-10-16
Release date:2002-08-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
2GWX
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BU of 2gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: PROTEIN (PPAR-DELTA)
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-03-11
Release date:2000-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
3MA3
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BU of 3ma3 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand
Descriptor: Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
Authors:Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-23
Release date:2010-04-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
4J3E
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BU of 4j3e by Molmil
The 1.9A crystal structure of humanized Xenopus Mdm2 with nutlin-3a
Descriptor: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C.M, Kammlott, R.U, Crowther, R.
Deposit date:2013-02-05
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development.
ACS Med Chem Lett, 4, 2013
3NFN
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BU of 3nfn by Molmil
Recognition of peptide-MHC by a V-delta/V-beta TCR
Descriptor: 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Shi, Y, Qi, J, Gao, F, Gao, G.F.
Deposit date:2010-06-10
Release date:2011-07-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Plasticity of human CD8 alpha alpha binding to peptide-HLA-A*2402
Mol.Immunol., 48, 2011
3OZW
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BU of 3ozw by Molmil
The Crystal Structure of flavohemoglobin from R. eutrophus in complex with ketoconazole
Descriptor: 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L.
Deposit date:2010-09-27
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
7CPP
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BU of 7cpp by Molmil
THE STRUCTURAL BASIS FOR SUBSTRATE-INDUCED CHANGES IN REDOX POTENTIAL AND SPIN EQUILIBRIUM IN CYTOCHROME P450(CAM)
Descriptor: CYTOCHROME P450-CAM, NORCAMPHOR, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.
Biochemistry, 28, 1989
4OQQ
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BU of 4oqq by Molmil
Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis
Descriptor: BICINE, Deoxyribonucleoside regulator
Authors:Rezacova, P, Skerlova, J.
Deposit date:2014-02-10
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis.
Febs J., 281, 2014
2RMD
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BU of 2rmd by Molmil
Astressin-B
Descriptor: ASTRESSIN-B
Authors:Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
Deposit date:2007-10-16
Release date:2008-01-01
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
4GPJ
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BU of 4gpj by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand
Descriptor: (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-08-21
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Medchemcomm, 4, 2013
5U03
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BU of 5u03 by Molmil
Cryo-EM structure of the human CTP synthase filament
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase 1, URIDINE 5'-TRIPHOSPHATE
Authors:Lynch, E.M, Kollman, J.M.
Deposit date:2016-11-22
Release date:2017-04-26
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Human CTP synthase filament structure reveals the active enzyme conformation.
Nat. Struct. Mol. Biol., 24, 2017
2RM9
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BU of 2rm9 by Molmil
Astressin2B
Descriptor: Astressin2B
Authors:Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
Deposit date:2007-10-16
Release date:2008-01-01
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
2RME
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BU of 2rme by Molmil
Stressin
Descriptor: Stressin
Authors:Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
Deposit date:2007-10-16
Release date:2008-01-01
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007

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