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6ZM3
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BU of 6zm3 by Molmil
The structure of an E2 ubiquitin-conjugating complex (UBC2-UEV1) essential for Leishmania amastigote differentiation
Descriptor: Putative ubiquitin-conjugating enzyme e2, Ubiquitin-conjugating enzyme-like protein
Authors:Burge, R.J, Dodson, E.J, Wilkinson, A.J, Mottram, J.C.
Deposit date:2020-07-01
Release date:2020-07-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Leishmania differentiation requires ubiquitin conjugation mediated by a UBC2-UEV1 E2 complex.
Plos Pathog., 16, 2020
4U36
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BU of 4u36 by Molmil
Crystal structure of a seed lectin from Vatairea macrocarpa complexed with Tn-antigen
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2014-07-18
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
4U2A
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BU of 4u2a by Molmil
Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2014-07-16
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
7A8W
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BU of 7a8w by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with an engineered HMA domain of Pikp-1 from rice (Oryza sativa)
Descriptor: NBS-LRR class disease resistance protein, Uncharacterized protein
Authors:Maidment, J.H.R, De la Concepcion, J.C, Franceschetti, M, Banfield, M.J.
Deposit date:2020-08-31
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The allelic rice immune receptor Pikh confers extended resistance to strains of the blast fungus through a single polymorphism in the effector binding interface.
Plos Pathog., 17, 2021
4UBE
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BU of 4ube by Molmil
CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C.
Deposit date:2014-08-12
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
TO BE PUBLISHED
4UPV
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BU of 4upv by Molmil
Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2014-06-18
Release date:2014-10-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
4UPE
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BU of 4upe by Molmil
Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ...
Authors:Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2014-06-16
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
1A9U
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BU of 1a9u by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38
Authors:Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
Deposit date:1998-04-10
Release date:1999-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
1AHO
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BU of 1aho by Molmil
THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN
Descriptor: TOXIN II
Authors:Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R.
Deposit date:1997-04-08
Release date:1997-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Ab initio structure determination and refinement of a scorpion protein toxin.
Acta Crystallogr.,Sect.D, 53, 1997
3H3X
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BU of 3h3x by Molmil
Structure of the V74M large subunit mutant of NI-FE hydrogenase in an oxidized state
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martinez, N, Martin, L, Fontecilla-Camps, J.C.
Deposit date:2009-04-17
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Introduction of methionines in the gas channel makes [NiFe] hydrogenase aero-tolerant
J.Am.Chem.Soc., 131, 2009
1YQ9
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BU of 1yq9 by Molmil
Structure of the unready oxidized form of [NiFe] hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Cavazza, C, Matho, M, Faber, B.W, Roseboom, W, Albracht, S.P, Garcin, E, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2005-02-01
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural differences between the ready and unready oxidized states of [NiFe] hydrogenases.
J.Biol.Inorg.Chem., 10, 2005
2NQ8
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BU of 2nq8 by Molmil
Malarial enoyl acyl ACP reductase bound with INH-NAD adduct
Descriptor: Enoyl-acyl carrier reductase, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Authors:Freundlich, J.S, Yu, M, Lucumi, E, Kuo, M, Tsai, H.C, Valderramos, J.C, Karagyozov, L, Jacobs Jr, W.R, Schiehser, G.A, Fidock, D.A, Jacobus, D.P, Sacchettini, J.C.
Deposit date:2006-10-30
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
6AU9
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BU of 6au9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
Descriptor: (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-31
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6APZ
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BU of 6apz by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-hydroxy-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-18
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6ASU
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BU of 6asu by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-methyl-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.316 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6AS6
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BU of 6as6 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-Prop-6-Me-phenyldiketoacid
Descriptor: (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6BA7
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BU of 6ba7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-10-12
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6AXB
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BU of 6axb by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-09-06
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6BHN
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BU of 6bhn by Molmil
Red Light-Absorbing State of NpR6012g4, a Red/Green Cyanobacteriochrome
Descriptor: Methyl-accepting chemotaxis sensory transducer with phytochrome sensor, PHYCOCYANOBILIN
Authors:Yu, Q, Lim, S, Rockwell, N.C, Martin, S.S, Lagarias, J.C, Ames, J.B.
Deposit date:2017-10-31
Release date:2018-04-18
Last modified:2019-12-04
Method:SOLUTION NMR
Cite:Correlating structural and photochemical heterogeneity in cyanobacteriochrome NpR6012g4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BHO
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BU of 6bho by Molmil
Green Light-Absorbing State of NpR6012g4, a Red/Green Cyanobacteriochrome
Descriptor: Methyl-accepting chemotaxis sensory transducer with phytochrome sensor, PHYCOCYANOBILIN
Authors:Lim, S, Yu, Q, Rockwell, N.C, Martin, S.S, Lagarias, J.C, Ames, J.B.
Deposit date:2017-10-31
Release date:2018-04-18
Last modified:2019-12-04
Method:SOLUTION NMR
Cite:Correlating structural and photochemical heterogeneity in cyanobacteriochrome NpR6012g4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BU1
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BU of 6bu1 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-12-08
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C6O
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BU of 6c6o by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-19
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C7B
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BU of 6c7b by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-22
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C2X
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BU of 6c2x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-6-Me-phenyldiketoacid
Descriptor: (2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-09
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C8P
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BU of 6c8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
Descriptor: (2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-25
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018

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