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1VLX
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BU of 1vlx by Molmil
STRUCTURE OF ELECTRON TRANSFER (COBALT-PROTEIN)
Descriptor: AZURIN, COBALT (II) ION
Authors:Bonander, N, Vanngard, T, Tsai, L.-C, Langer, V, Nar, H, Sjolin, L.
Deposit date:1996-10-08
Release date:1997-03-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The metal site of Pseudomonas aeruginosa azurin, revealed by a crystal structure determination of the Co(II) derivative and Co-EPR spectroscopy.
Proteins, 27, 1997
5ETW
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BU of 5etw by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, S.Y, Peng, Y.H, Wu, J.S.
Deposit date:2015-11-18
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1.
J.Med.Chem., 59, 2016
5EK3
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BU of 5ek3 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, J.S, Wu, S.Y.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
5DYV
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BU of 5dyv by Molmil
AbyU - wildtype
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
Authors:Race, P.R, Byrne, M.J.
Deposit date:2015-09-25
Release date:2016-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail.
J.Am.Chem.Soc., 138, 2016
3JPQ
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BU of 3jpq by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monoBromo methylene triphosphate
Descriptor: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
Deposit date:2009-09-04
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
5GUN
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BU of 5gun by Molmil
Crystal structure of d(GTGGAATGGAAC)
Descriptor: COBALT (II) ION, DNA (5'-D(*GP*TP*GP*GP*AP*AP*TP*GP*GP*AP*AP*C)-3')
Authors:Satange, R.B, Kao, Y.F, Hou, M.H.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.588 Å)
Cite:Parity-dependent hairpin configurations of repetitive DNA sequence promote slippage associated with DNA expansion
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5DYQ
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BU of 5dyq by Molmil
AbyU L73M L139M
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein
Authors:Byrne, M.J, Race, P.R.
Deposit date:2015-09-25
Release date:2016-06-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail.
J.Am.Chem.Soc., 138, 2016
1AZN
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BU of 1azn by Molmil
CRYSTAL STRUCTURE OF THE AZURIN MUTANT PHE114ALA FROM PSEUDOMONAS AERUGINOSA AT 2.6 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION
Authors:Tsai, L.-C, Sjolin, L, Langer, V, Pascher, T, Nar, H.
Deposit date:1994-05-27
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the azurin mutant Phe114Ala from Pseudomonas aeruginosa at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
1UIO
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BU of 1uio by Molmil
ADENOSINE DEAMINASE (HIS 238 ALA MUTANT)
Descriptor: 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1996-08-30
Release date:1997-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Site-directed mutagenesis of histidine 238 in mouse adenosine deaminase: substitution of histidine 238 does not impede hydroxylate formation.
Biochemistry, 35, 1996
5HVX
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BU of 5hvx by Molmil
Full length Wild-Type Open-form Sodium Channel NavMs
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, ...
Authors:Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A.
Deposit date:2016-01-28
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
3HR5
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BU of 3hr5 by Molmil
M1prime peptide from IgE bound by humanized antibody 47H4 Fab
Descriptor: Fab h47H4 heavy chain, Fab h47H4 light chain, GLYCEROL, ...
Authors:Eigenbrot, C.W, Ultsch, M.H.
Deposit date:2009-06-08
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibodies specific for a segment of human membrane IgE deplete IgE-producing B cells in humanized mice.
J.Clin.Invest., 120, 2010
3HUJ
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BU of 3huj by Molmil
Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, MAGNESIUM ION, ...
Authors:Pang, S.S.
Deposit date:2009-06-14
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
5FHV
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BU of 5fhv by Molmil
Crystal structure of mCherry after reaction with 2-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2015-12-22
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Efficient switching of mCherry fluorescence using chemical caging.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1WWB
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BU of 1wwb by Molmil
LIGAND BINDING DOMAIN OF HUMAN TRKB RECEPTOR
Descriptor: PROTEIN (Brain Derived Neurotrophic Factor Receptor TrkB)
Authors:Wiesmann, C, Ultsch, M.H, Bass, S.H, De Vos, A.M.
Deposit date:1999-05-03
Release date:1999-07-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
5HGN
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BU of 5hgn by Molmil
Hexameric HIV-1 CA, apo form
Descriptor: Capsid protein P24
Authors:Jacques, D.A, Price, A.J, James, D.A.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
3LBZ
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BU of 3lbz by Molmil
Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6
Descriptor: (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid, B-cell lymphoma 6 protein, N-[(4-bromophenyl)sulfonyl]acetamide
Authors:Ghetu, A.F, Prive, G.G.
Deposit date:2010-01-08
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.
Cancer Cell, 17, 2010
1WBS
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BU of 1wbs by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBN
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BU of 1wbn by Molmil
fragment based p38 inhibitors
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Authors:Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H.
Deposit date:2004-11-04
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1AZR
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BU of 1azr by Molmil
CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA ZINC AZURIN MUTANT ASP47ASP AT 2.4 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION, NITRATE ION
Authors:Sjolin, L, Tsai, Lc, Langer, V, Pascher, T, Karlsson, G, Nordling, M, Nar, H.
Deposit date:1993-03-04
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Pseudomonas aeruginosai zinc azurin mutant Asn47Asp at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
3LIP
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BU of 3lip by Molmil
OPEN CONFORMATION OF PSEUDOMONAS CEPACIA LIPASE
Descriptor: CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Schomburg, D.
Deposit date:1997-04-18
Release date:1997-06-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
1WBV
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BU of 1wbv by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1BQL
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BU of 1bql by Molmil
STRUCTURE OF AN ANTI-HEL FAB FRAGMENT COMPLEXED WITH BOBWHITE QUAIL LYSOZYME
Descriptor: BOBWHITE QUAIL LYSOZYME, HYHEL-5 FAB (HEAVY CHAIN), HYHEL-5 FAB (LIGHT CHAIN)
Authors:Chacko, S, Davies, D.R.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
1WWA
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BU of 1wwa by Molmil
NGF BINDING DOMAIN OF HUMAN TRKA RECEPTOR
Descriptor: PROTEIN (NERVE GROWTH FACTOR RECEPTOR TRKA)
Authors:Wiesmann, C, Ultsch, M.H, Bass, S.H, De Vos, A.M.
Deposit date:1999-04-29
Release date:1999-07-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
2BGJ
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BU of 2bgj by Molmil
X-Ray Structure of the Ferredoxin-NADP(H) Reductase from Rhodobacter capsulatus at 2.1 Angstroms
Descriptor: FERREDOXIN-NADP(H) REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Perez-Dorado, J.I, Hermoso, J.A, Nogues, I, Frago, S, Bittel, C, Mayhew, S.G, Gomez-Moreno, C, Medina, M, Cortez, N, Carrillo, N.
Deposit date:2004-12-23
Release date:2005-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The ferredoxin-NADP(H) reductase from Rhodobacter capsulatus: molecular structure and catalytic mechanism.
Biochemistry, 44, 2005
2C52
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BU of 2c52 by Molmil
Structural diversity in CBP p160 complexes
Descriptor: CREB-BINDING PROTEIN, NUCLEAR RECEPTOR COACTIVATOR 1
Authors:Waters, L.C, Yue, B, Veverka, V, Renshaw, P.S, Bramham, J, Matsuda, S, Frenkiel, T, Kelly, G, Muskett, F.W, Carr, M.D, Heery, D.M.
Deposit date:2005-10-25
Release date:2006-03-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural diversity in p160/CREB-binding protein coactivator complexes.
J. Biol. Chem., 281, 2006

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