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3PZY
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BU of 3pzy by Molmil
Crystal structure of Molybdopterin biosynthesis mog protein from Mycobacterium paratuberculosis
Descriptor: Mog, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-14
Release date:2011-01-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3OI9
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BU of 3oi9 by Molmil
Crystal structure of molybdenum cofactor synthesis domain from Mycobacterium avium
Descriptor: Molybdenum cofactor synthesis domain
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-18
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3OKS
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BU of 3oks by Molmil
Crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, FORMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-25
Release date:2010-10-27
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
3QB0
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BU of 3qb0 by Molmil
Crystal structure of Actin-related protein Arp4 from S. cerevisiae complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 4, CALCIUM ION
Authors:Fenn, S, Breitsprecher, D, Gerhold, C.B, Witte, G, Faix, J, Hopfner, K.P.
Deposit date:2011-01-12
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Structural biochemistry of nuclear actin-related proteins 4 and 8 reveals their interaction with actin.
Embo J., 30, 2011
3QK8
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BU of 3qk8 by Molmil
Crystal structure of enoyl-coA hydratase EchA15 from Mycobacterium marinum in complex with an unknown ligand
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA hydratase EchA15, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-31
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QIV
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BU of 3qiv by Molmil
Crystal structure of a putative short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
Descriptor: short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-27
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3Q8N
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BU of 3q8n by Molmil
Crystal structure of 4-aminobutyrate transaminase from Mycobacterium smegmatis
Descriptor: 4-aminobutyrate transaminase, 4-oxobutanoic acid
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-06
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QK2
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BU of 3qk2 by Molmil
Structure-Based Analysis of the Interaction between the Simian Virus 40 T-Antigen Origin Binding Domain and Single-Stranded DNA
Descriptor: Large T antigen, THIOCYANATE ION
Authors:Meinke, G, Bullock, P.A, Bohm, A.
Deposit date:2011-01-31
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.643 Å)
Cite:Structure-based analysis of the interaction between the simian virus 40 T-antigen origin binding domain and single-stranded DNA.
J.Virol., 85, 2011
3QKA
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BU of 3qka by Molmil
Crystal structure of enoyl-CoA hydratase EchA5 from Mycobacterium marinum
Descriptor: Enoyl-CoA hydratase, EchA5
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-31
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QXI
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BU of 3qxi by Molmil
Crystal structure of enoyl-CoA hydratase EchA1 from Mycobacterium marinum
Descriptor: Enoyl-CoA hydratase EchA1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-01
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6VO3
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BU of 6vo3 by Molmil
AMC009 SOSIP.v4.2 in complex with PGV04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC009 SOSIP.v4.2 envelope glycoprotein gp120, ...
Authors:Cottrell, C.A, de Val, N, Ward, A.B.
Deposit date:2020-01-29
Release date:2020-09-23
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Neutralizing Antibody Responses Induced by HIV-1 Envelope Glycoprotein SOSIP Trimers Derived from Elite Neutralizers.
J.Virol., 94, 2020
6PRW
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BU of 6prw by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
Authors:Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-07-11
Release date:2020-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
6PWH
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BU of 6pwh by Molmil
Cystal structure of Myotoxin II from Bothrops moojeni co-crystallized with Varespladib (LY315920)
Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2019-07-23
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural basis for phospholipase A2-like toxin inhibition by the synthetic compound Varespladib (LY315920).
Sci Rep, 9, 2019
6ASC
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BU of 6asc by Molmil
Mre11 dimer in complex with Endonuclease inhibitor PFM04
Descriptor: (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ...
Authors:Moiani, D, Arvai, A.S, Tainer, J.A.
Deposit date:2017-08-24
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
6R2S
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BU of 6r2s by Molmil
The structure of Plasmodium vivax Duffy binding protein (PvDBP) bound to human antibody DB9
Descriptor: Antibody DB9 heavy chain, Antibody DB9 light chain, Duffy receptor
Authors:Barber, N.M, Higgins, M.K.
Deposit date:2019-03-18
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural basis for inhibition of Plasmodium vivax invasion by a broadly neutralizing vaccine-induced human antibody.
Nat Microbiol, 4, 2019
6SHO
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BU of 6sho by Molmil
SAD structure of Human Survivin recovered by continuous rotation data collection and multivariate analysis of Friedel pairs
Descriptor: Baculoviral IAP repeat-containing protein 5, ZINC ION
Authors:Garcia-Bonete, M.J, Katona, G.
Deposit date:2019-08-07
Release date:2019-11-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.20008445 Å)
Cite:Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
6SIJ
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BU of 6sij by Molmil
SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and multivariate analysis of Friedel pairs
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Garcia-Bonete, M.J, Katona, G.
Deposit date:2019-08-10
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.61018026 Å)
Cite:Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
6SIK
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BU of 6sik by Molmil
SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and univariate analysis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Garcia-Bonete, M.J, Katona, G.
Deposit date:2019-08-10
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.61007011 Å)
Cite:Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
2QT9
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BU of 2qt9 by Molmil
Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
Descriptor: (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2QTB
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BU of 2qtb by Molmil
Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
Descriptor: (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
6Y4J
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BU of 6y4j by Molmil
Engineered Fructosyl Peptide Oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase, GLYCEROL, ...
Authors:Donini, S, Rigoldi, F, Gautieri, A, Parisini, E.
Deposit date:2020-02-21
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel.
Biotechnol.Bioeng., 117, 2020
6YLR
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BU of 6ylr by Molmil
Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog
Descriptor: Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1954546 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
3CWB
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BU of 3cwb by Molmil
Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
Authors:Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A.
Deposit date:2008-04-21
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16, 2008
3CLX
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BU of 3clx by Molmil
Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005
Descriptor: (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Milani, M, Mastrangelo, E, Cossu, F.
Deposit date:2008-03-20
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008

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