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1B3D
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BU of 1b3d by Molmil
STROMELYSIN-1
Descriptor: CALCIUM ION, N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID, STROMELYSIN-1, ...
Authors:Chen, L, Rydel, T.J, Dunaway, C.M, Pikul, S, Dunham, K.M, Gu, F, Barnett, B.L.
Deposit date:1998-12-09
Release date:1999-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the stromelysin catalytic domain at 2.0 A resolution: inhibitor-induced conformational changes.
J.Mol.Biol., 293, 1999
1BB6
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LYSOZYME COMPLEX WITH 4-METHYL-UMBELLIFERYL CHITOTRIOSE
Descriptor: LYSOZYME, METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE
Authors:Vollan, V.B, Hough, E, Karlsen, S.
Deposit date:1998-04-29
Release date:1999-05-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies on the binding of 4-methylumbelliferone glycosides of chitin to rainbow trout lysozyme.
Acta Crystallogr.,Sect.D, 55, 1999
1O57
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CRYSTAL STRUCTURE OF THE PURINE OPERON REPRESSOR OF BACILLUS SUBTILIS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, ...
Authors:Sinha, S.C, Krahn, J, Shin, B.S, Tomchick, D.R, Zalkin, H, Smith, J.L.
Deposit date:2003-04-20
Release date:2003-08-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Purine Repressor of Bacillus Subtilis: A Novel Combination of Domains Adapted for Transcription Regulation
J.Bacteriol., 185, 2003
1O9K
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BU of 1o9k by Molmil
Crystal structure of the retinoblastoma tumour suppressor protein bound to E2F peptide
Descriptor: RETINOBLASTOMA-ASSOCIATED PROTEIN, TRANSCRIPTION FACTOR E2F1
Authors:Xiao, B, Spencer, J, Clements, A, Ali-Khan, N, Mittnacht, S, Broceno, C, Burghammer, M, Perrakis, A, Marmorstein, R, Gamblin, S.J.
Deposit date:2002-12-16
Release date:2003-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Retinoblastoma Tumor Suppressor Protein Bound to E2F and the Molecular Basis of its Regulation
Proc.Natl.Acad.Sci.USA, 100, 2003
1B8E
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BU of 1b8e by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA-LACTOGLOBULIN (ISOFORMS A AND B) IN ORTHOROMBIC SPACE GROUP
Descriptor: PROTEIN (BETA-LACTOGLOBULIN)
Authors:Oliveira, K.M.G, Sawyer, L, Polikarpov, I.
Deposit date:1999-01-30
Release date:2001-05-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of bovine beta-lactoglobulin in the orthorhombic space group C222(1). Structural differences between genetic variants A and B and features of the Tanford transition.
Eur.J.Biochem., 268, 2001
1B5A
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BU of 1b5a by Molmil
RAT FERROCYTOCHROME B5 A CONFORMATION, NMR, 1 STRUCTURE
Descriptor: FERROCYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dangi, B, Sarma, S, Yan, C, Banville, D, Guiles, R.D.
Deposit date:1998-04-06
Release date:1998-06-17
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:The origin of differences in the physical properties of the equilibrium forms of cytochrome b5 revealed through high-resolution NMR structures and backbone dynamic analyses.
Biochemistry, 37, 1998
1CGY
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BU of 1cgy by Molmil
SITE DIRECTED MUTATIONS OF THE ACTIVE SITE RESIDUE TYROSINE 195 OF CYCLODEXTRIN GLYXOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 AFFECTING ACTIVITY AND PRODUCT SPECIFICITY
Descriptor: CALCIUM ION, CYCLOMALTODEXTRIN GLUCANOTRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Strokopytov, B.V, Dijkstra, B.W.
Deposit date:1994-08-05
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Site-directed mutations in tyrosine 195 of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 affect activity and product specificity.
Biochemistry, 34, 1995
3NMS
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BU of 3nms by Molmil
Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Staphylococcal complement inhibitor
Authors:Geisbrecht, B.V, Garcia, B.L.
Deposit date:2010-06-22
Release date:2010-08-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b.
J.Mol.Biol., 402, 2010
6ZYC
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BU of 6zyc by Molmil
Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20.
Descriptor: DNA polymerase processivity factor component A20
Authors:Bersch, B, Iseni, F, Burmeister, W, Tarbouriech, N.
Deposit date:2020-07-31
Release date:2021-05-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution Structure of the C-terminal Domain of A20, the Missing Brick for the Characterization of the Interface between Vaccinia Virus DNA Polymerase and its Processivity Factor.
J.Mol.Biol., 433, 2021
6ZXP
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BU of 6zxp by Molmil
Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20 fused to a short peptide from the viral DNA polymerase E9.
Descriptor: DNA polymerase processivity factor component A20,DNA polymerase processivity factor component E9
Authors:Bersch, B, Tarbouriech, N, Burmeister, W, Iseni, F.
Deposit date:2020-07-30
Release date:2021-05-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution Structure of the C-terminal Domain of A20, the Missing Brick for the Characterization of the Interface between Vaccinia Virus DNA Polymerase and its Processivity Factor.
J.Mol.Biol., 433, 2021
1CQF
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BU of 1cqf by Molmil
THE COMPLEX OF THE MUTATED SHIGA TOXIN B SUBUNIT AND GB3 TRISACCHARIDE
Descriptor: SHIGA TOXIN B-CHAIN, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Ling, H, Bast, D, Brunton, J.L, Read, R.J.
Deposit date:1999-08-06
Release date:2000-08-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Complex of the Mutated Shiga Toxin B Subunit and Gb3 Trisaccharide
To be Published
1KJJ
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BU of 1kjj by Molmil
Crystal structure of glycniamide ribonucleotide transformylase in complex with Mg-ATP-gamma-S
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M.
Deposit date:2001-12-04
Release date:2002-06-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
1Y9H
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Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
Authors:Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J.
Deposit date:2004-12-15
Release date:2005-03-22
Last modified:2024-04-24
Method:SOLUTION NMR
Cite:Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
5D85
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BU of 5d85 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnA bound to aminoacrylate intermediate
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CITRATE ANION, GLYCEROL, ...
Authors:Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P.
Deposit date:2015-08-15
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
1CGV
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BU of 1cgv by Molmil
SITE DIRECTED MUTATIONS OF THE ACTIVE SITE RESIDUE TYROSINE 195 OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 AFFECTING ACTIVITY AND PRODUCT SPECIFICITY
Descriptor: CALCIUM ION, CYCLOMALTODEXTRIN GLUCANOTRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Strokopytov, B.V, Dijkstra, B.W.
Deposit date:1994-08-05
Release date:1995-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Site-directed mutations in tyrosine 195 of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 affect activity and product specificity.
Biochemistry, 34, 1995
1D1K
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BU of 1d1k by Molmil
MUTATED SHIGA-LIKE TOXIN B SUBUNIT (D17E/W34A) COMPLEXED WITH RECEPTOR GB3 ANALOGUE
Descriptor: SHIGA-LIKE TOXIN I SUBUNIT B, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ling, H, Brunton, J.L, Read, R.J.
Deposit date:1999-09-17
Release date:2000-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutated Shiga-like toxin B subunit (D17E/W34A) complexed with receptor Gb3 analogue
To be Published
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
Descriptor: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
Authors:Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
Deposit date:2010-12-13
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
5E10
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BU of 5e10 by Molmil
Crystal Structure of PASTA Domains 1 and 2 of Mycobacterium tuberculosis Protein Kinase B
Descriptor: Serine/threonine-protein kinase PknB
Authors:Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-09-29
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
3Q09
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BU of 3q09 by Molmil
Crystal Structure of Chlorite Dismutase from D. Aromatica at pH 9.0
Descriptor: CALCIUM ION, Chlorite dismutase, NITRITE ION, ...
Authors:Goblirsch, B.R, Wilmot, C.M.
Deposit date:2010-12-15
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural features promoting dioxygen production by Dechloromonas aromatica chlorite dismutase.
J.Biol.Inorg.Chem., 15, 2010
4C1R
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BU of 4c1r by Molmil
Bacteroides thetaiotaomicron VPI-5482 mannosyl-6-phosphatase Bt3783
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, MANNOSYL-6-PHOSPHATASE
Authors:Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
Deposit date:2013-08-13
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
4CFW
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BU of 4cfw by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFU
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BU of 4cfu by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
Descriptor: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
Deposit date:2013-11-19
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
2I07
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BU of 2i07 by Molmil
Human Complement Component C3b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3b, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Janssen, B.J.C, Christodoulidou, A, McCarthy, A, Lambris, J.D, Gros, P.
Deposit date:2006-08-10
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of C3b reveals conformational changes that underlie complement activity.
Nature, 444, 2006
6ME1
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BU of 6me1 by Molmil
Crystal structure of the clade B isolate B41 mutant fusion peptide (residues 512-521) in complex with VRC34.01
Descriptor: Envelope glycoprotein gp160, VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-09-05
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide.
Nat Commun, 10, 2019

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