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5A6A
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BU of 5a6a by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with NGT
Descriptor: 1,2-ETHANEDIOL, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, N-ACETYL-BETA-D-GLUCOSAMINIDASE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-06-24
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans.
J. Biol. Chem., 290, 2015
1T8I
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BU of 1t8i by Molmil
Human DNA Topoisomerase I (70 Kda) In Complex With The Poison Camptothecin and Covalent Complex With A 22 Base Pair DNA Duplex
Descriptor: 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ...
Authors:Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B.
Deposit date:2004-05-12
Release date:2005-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex
J.Med.Chem., 48, 2005
5A59
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BU of 5a59 by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5AC4
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BU of 5ac4 by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, N-ACETYL-BETA-D-GLUCOSAMINIDASE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-08-11
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans.
J. Biol. Chem., 290, 2015
1UUT
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BU of 1uut by Molmil
The Nuclease Domain of Adeno-Associated Virus Rep Complexed with the RBE' Stemloop of the Viral Inverted Terminal Repeat
Descriptor: 5'-D(*CP*AP*GP*CP*TP*CP*TP*TP*TP*GP *AP*GP*CP*TP*G)-3', CHLORIDE ION, MAGNESIUM ION, ...
Authors:Dyda, F, Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M.
Deposit date:2004-01-10
Release date:2004-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Nuclease Domain of Adeno-Associated Virus Rep Coordinates Replication Initiation Using Two Distinct DNA Recognition Interfaces
Mol.Cell, 13, 2004
5AWN
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BU of 5awn by Molmil
Crystal structure of Human anti-HIV-1 broadly neutralizing antibody 3BC176 Fab
Descriptor: Heavy chain of 3BC176 Fab, Light chain of 3BC176 Fab
Authors:Lee, J.H, Wilson, I.A, Ward, A.B.
Deposit date:2015-07-06
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Antibodies to a conformational epitope on gp41 neutralize HIV-1 by destabilizing the Env spike.
Nat Commun, 6, 2015
5AMU
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BU of 5amu by Molmil
IglE I39A,Y40A,V44A
Descriptor: IGLE
Authors:Robb, C.S, Nano, F.E, Boraston, A.B.
Deposit date:2015-09-01
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure, Dimerisation and Impact on Intramacrophage Replication of Igle in Francisella Novicida
To be Published
1UX7
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BU of 1ux7 by Molmil
Carbohydrate-Binding Module CBM36 in complex with calcium and xylotriose
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE D, SULFATE ION, ...
Authors:Davies, G.J, Boraston, A.B, Jamal, S.
Deposit date:2004-02-19
Release date:2004-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ab Initio Structure Determination and Functional Characterization of Cbm36: A New Family of Calcium-Dependent Carbohydrate Binding Modules
Structure, 12, 2004
1SI0
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BU of 1si0 by Molmil
Crystal Structure of Mannheimia haemolytica Ferric iron-Binding Protein A in a closed conformation
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, FE (III) ION, ...
Authors:Shouldice, S.R, Skene, R.J, Dougan, D.R, Snell, G, McRee, D.E, Schryvers, A.B, Tari, L.W.
Deposit date:2004-02-26
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural basis for iron binding and release by a novel class of periplasmic iron-binding proteins found in gram-negative pathogens.
J.Bacteriol., 186, 2004
1SNK
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BU of 1snk by Molmil
Cathepsin K complexed with carbamate derivatized norleucine aldehyde
Descriptor: Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION
Authors:Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L.
Deposit date:2004-03-11
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1UY4
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BU of 1uy4 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1UY3
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BU of 1uy3 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1TKR
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BU of 1tkr by Molmil
Human Dipeptidyl Peptidase IV/CD26 inhibited with Diisopropyl FluoroPhosphate
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bjelke, J.R, Christensen, J, Branner, S, Wagtmann, N, Olsen, C, Kanstrup, A.B, Rasmussen, H.B.
Deposit date:2004-06-09
Release date:2004-07-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Tyrosine 547 Constitutes an Essential Part of the Catalytic Mechanism of Dipeptidyl Peptidase IV
J.Biol.Chem., 279, 2004
1UY2
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BU of 1uy2 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1UY1
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BU of 1uy1 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
1TK3
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BU of 1tk3 by Molmil
Crystal Structure Of Human Apo Dipeptidyl Peptidase IV/CD26
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bjelke, J.R, Christensen, J, Branner, S, Wagtmann, N, Olsen, C, Kanstrup, A.B, Rasmussen, H.B.
Deposit date:2004-06-08
Release date:2004-07-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tyrosine 547 Constitutes an Essential Part of the Catalytic Mechanism of Dipeptidyl Peptidase IV
J.Biol.Chem., 279, 2004
1T3F
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BU of 1t3f by Molmil
THREE DIMENSIONAL STRUCTURE OF A HUMANIZED ANTI-IFN-GAMMA FAB (HuZAF) IN P21 21 21 SPACE GROUP
Descriptor: Huzaf antibody heavy chain, Huzaf antibody light chain
Authors:Bourne, P.C, Terzyan, S.S, Cloud, G, Landolfi, N.F, Vasquez, M, Edmundson, A.B.
Deposit date:2004-04-26
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of a humanized anti-IFN-gamma Fab (HuZAF) in two crystal forms.
Acta Crystallogr.,Sect.D, 60, 2004
1T04
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BU of 1t04 by Molmil
Three dimensional structure of a humanized anti-IFN-Gamma Fab in C2 space group
Descriptor: Huzaf Antibody Heavy Chain, Huzaf Antibody Light Chain
Authors:Bourne, P.C, Terzyan, S.S, Cloud, G, Landolfi, N.F, Vasquez, M, Edmundson, A.B.
Deposit date:2004-04-07
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-dimensional structures of a humanized anti-IFN-gamma Fab (HuZAF) in two crystal forms.
Acta Crystallogr.,Sect.D, 60, 2004
6SES
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BU of 6ses by Molmil
Tubulin-B2 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Guo, B, Rodriguez-Gabin, A, Prota, A.E, Muehlethaler, T, Zhang, N, Ye, K, Steinmetz, M.O, Band Horwitz, S, Smith III, A.B, McDaid, H.M.
Deposit date:2019-07-30
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Refinement of the Tubulin Ligand (+)-Discodermolide to Attenuate Chemotherapy-Mediated Senescence.
Mol.Pharmacol., 98, 2020
3GTT
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BU of 3gtt by Molmil
Mouse SOD1
Descriptor: Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Seetharaman, S.V, Taylor, A.B, Hart, P.J.
Deposit date:2009-03-28
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010
3GZQ
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BU of 3gzq by Molmil
HUMAN SOD1 A4V Metal-free Variant
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
3GZP
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BU of 3gzp by Molmil
HUMAN SOD1 G93A Metal-free Variant
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
3GS2
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BU of 3gs2 by Molmil
Ring1B C-terminal domain/Cbx7 Cbox Complex
Descriptor: Chromobox protein homolog 7, E3 ubiquitin-protein ligase RING2, SULFATE ION, ...
Authors:Wang, R, Taylor, A.B, Kim, C.A.
Deposit date:2009-03-26
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Polycomb Group Targeting through Different Binding Partners of RING1B C-Terminal Domain.
Structure, 18, 2010
3H2P
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BU of 3h2p by Molmil
Human SOD1 D124V Variant
Descriptor: ACETYL GROUP, MALONATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J.
Deposit date:2009-04-14
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding and Compromised Post-translational Modification by the Copper Chaperone CCS
To be Published
3GTV
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BU of 3gtv by Molmil
Human-mouse SOD1 chimera
Descriptor: Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Seetharaman, S.V, Taylor, A.B, Hart, P.J.
Deposit date:2009-03-28
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010

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