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6W43
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APE1 AP-endonuclease product complex R237C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-10
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
2V79
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Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis
Descriptor: CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION
Authors:Schneider, S, Zhang, W, Soultanas, P, Paoli, M.
Deposit date:2007-07-27
Release date:2008-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation.
J.Mol.Biol., 376, 2008
8TFL
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BU of 8tfl by Molmil
Ricin in complex with Fab SylH3
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, NONAETHYLENE GLYCOL, ...
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2023-07-11
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells.
Biochemistry, 62, 2023
3LL9
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BU of 3ll9 by Molmil
X-ray structures of isopentenyl phosphate kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Isopentenyl phosphate kinase
Authors:Hill, C.P, Schubert, H.L.
Deposit date:2010-01-28
Release date:2010-06-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
8TFH
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BU of 8tfh by Molmil
Ricin in complex with Fab JB4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, JB4 monoclonal antibody heavy chain, ...
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2023-07-11
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells.
Biochemistry, 62, 2023
4G1P
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Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccharomyces cerevisiae
Descriptor: CYSTEINE, Cys-Gly metallodipeptidase DUG1, GLYCINE, ...
Authors:Singh, A.K, Singh, M, Pandya, V.K, Singh, V, Mittal, M, Kumaran, S.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae
To be published
3L5W
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BU of 3l5w by Molmil
Crystal structure of the complex between IL-13 and C836 FAB
Descriptor: C836 HEAVY CHAIN, C836 LIGHT CHAIN, GLYCEROL, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
6W4I
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APE1 Y269A product complex with abasic DNA
Descriptor: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Hoitsma, N.M.
Deposit date:2020-03-10
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:AP-endonuclease 1 sculpts DNA through an anchoring tyrosine residue on the DNA intercalating loop.
Nucleic Acids Res., 48, 2020
4E2F
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BU of 4e2f by Molmil
Crystal Structure of E. coli Aspartate Transcarbamoylase K164E/E239K Mutant in an intermediate state
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ZINC ION
Authors:Guo, W, Kantrowitz, E.R.
Deposit date:2012-03-08
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Trapping and structure determination of an intermediate in the allosteric transition of aspartate transcarbamoylase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3LHP
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BU of 3lhp by Molmil
Crystal structure of HIV epitope-scaffold 4E10_D0_1ISEA_004_N 4E10 Fv complex
Descriptor: 1,2-ETHANEDIOL, 4E10_D0_1ISEA_004_N (T93), Fv 4E10 heavy chain, ...
Authors:Holmes, M.A.
Deposit date:2010-01-22
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
4DY9
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BU of 4dy9 by Molmil
Leishmania major Peroxidase is a Cytochrome c Peroxidase
Descriptor: Cytochrome c, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jasion, V.S, Poulos, T.L.
Deposit date:2012-02-28
Release date:2012-03-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Leishmania major Peroxidase Is a Cytochrome c Peroxidase.
Biochemistry, 51, 2012
4GIG
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BU of 4gig by Molmil
crystal structure of T69A mutant of trapped Dnae intein precursor
Descriptor: DNA polymerase III subunit alpha, SULFATE ION
Authors:Van Roey, P.
Deposit date:2012-08-08
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conserved threonine spring-loads precursor for intein splicing.
Protein Sci., 22, 2013
3L7E
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BU of 3l7e by Molmil
Crystal structure of ANTI-IL-13 antibody C836
Descriptor: ACETATE ION, C836 HEAVY CHAIN, C836 LIGHT CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-28
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antigen recognition by antibody C836 through adjustment of VL/VH packing
Acta Crystallogr.,Sect.F, 67, 2011
2J2I
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BU of 2j2i by Molmil
Crystal Structure of the humab PIM1 in complex with LY333531
Descriptor: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION
Authors:Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
Deposit date:2006-08-16
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
3LQU
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BU of 3lqu by Molmil
Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase complexed with Ribulose-5 phosphate
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, 5-O-phosphono-D-xylulose
Authors:Kumar, P, Karthikeyan, S.
Deposit date:2010-02-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2.
Proteins, 78, 2010
2VOE
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BU of 2voe by Molmil
Crystal structure of Rv2780 from M. tuberculosis H37Rv
Descriptor: ALANINE DEHYDROGENASE
Authors:Tripathi, S.M, Ramachandran, R.
Deposit date:2008-02-17
Release date:2008-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the Mycobacterium Tuberculosis Secretory Antigen Alanine Dehydrogenase (Rv2780) in Apo and Ternary Complex Forms Captures "Open" and "Closed" Enzyme Conformations.
Proteins, 72, 2008
3L7F
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BU of 3l7f by Molmil
Structure of IL-13 antibody H2L6, A humanized variant OF C836
Descriptor: CALCIUM ION, H2L6 HEAVY CHAIN, H2L6 LIGHT CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-28
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3LH2
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BU of 3lh2 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_1VI7A_S0_002_N 4E10 Fv complex
Descriptor: 4E10_1VI7A_S0_002_N (T88), Fv 4E10 heavy chain, Fv 4E10 light chain
Authors:Holmes, M.A.
Deposit date:2010-01-21
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
6VX2
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BU of 6vx2 by Molmil
HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
Descriptor: (5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-02-21
Release date:2021-02-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
3LUG
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BU of 3lug by Molmil
Crystal structure of MID domain from hAGO2 in complex with CMP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, Protein argonaute-2
Authors:Frank, F, Sonenberg, N, Nagar, B.
Deposit date:2010-02-17
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
Nature, 465, 2010
6W0U
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BU of 6w0u by Molmil
HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid
Descriptor: 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-02
Release date:2021-03-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
6W42
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BU of 6w42 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-methyl-2-(2-(thiophen-2-yl)ethynyl)-1-benzofuran-3-yl)acetic acid
Descriptor: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-09
Release date:2021-03-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
6W11
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BU of 6w11 by Molmil
The structure of Sulfolobus solfataricus Csa3 in complex with cyclic tetraadenylate (cA4)
Descriptor: CRISPR locus-related putative DNA-binding protein Csa3, cA4
Authors:Charbonneau, A.A, Gauvin, C.C, Lawrence, C.M.
Deposit date:2020-03-03
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Cyclic Tetra-Adenylate (cA 4 ) Recognition by Csa3; Implications for an Integrated Class 1 CRISPR-Cas Immune Response in Saccharolobus solfataricus.
Biomolecules, 11, 2021
6W6T
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BU of 6w6t by Molmil
WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2020-03-17
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:To Be Determined
To Be Published

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