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4K73
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X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv
Descriptor: CALCIUM ION, L,D-transpeptidase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-04-16
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv (CASP Target)
TO BE PUBLISHED
6AQT
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BU of 6aqt by Molmil
Crystal Structure of Z-DNA with 6-fold Twinning_Z3A
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Luo, Z, Dauter, Z, Gilski, M.
Deposit date:2017-08-21
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Four highly pseudosymmetric and/or twinned structures of d(CGCGCG)2 extend the repertoire of crystal structures of Z-DNA.
Acta Crystallogr D Struct Biol, 73, 2017
6AQW
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BU of 6aqw by Molmil
Crystal Structure of Z-DNA with 6-fold Twinning_Z4A
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Luo, Z, Dauter, Z, Gilski, M.
Deposit date:2017-08-21
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Four highly pseudosymmetric and/or twinned structures of d(CGCGCG)2 extend the repertoire of crystal structures of Z-DNA.
Acta Crystallogr D Struct Biol, 73, 2017
1PV1
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BU of 1pv1 by Molmil
Crystal Structure Analysis of Yeast Hypothetical Protein: YJG8_YEAST
Descriptor: Hypothetical 33.9 kDa esterase in SMC3-MRPL8 intergenic region
Authors:Millard, C, Kumaran, D, Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-06-26
Release date:2004-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase.
Biochemistry, 47, 2008
7ZAK
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BU of 7zak by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
7ZFR
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BU of 7zfr by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-04-01
Release date:2023-04-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
4K3Z
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BU of 4k3z by Molmil
Crystal structure of D-erythrulose 4-phosphate dehydrogenase from Brucella melitensis, solved by iodide SAD
Descriptor: 1,2-ETHANEDIOL, D-erythrulose 4-phosphate dehydrogenase, GLYCEROL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-04-11
Release date:2013-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of D-erythrulose 4-phosphate dehydrogenase from Brucella melitensis, solved by iodide SAD
To be Published
6AQX
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BU of 6aqx by Molmil
Crystal Structure of Z-DNA with 6-fold Twinning_Z4B
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Luo, Z, Dauter, Z, Gilski, M.
Deposit date:2017-08-21
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Four highly pseudosymmetric and/or twinned structures of d(CGCGCG)2 extend the repertoire of crystal structures of Z-DNA.
Acta Crystallogr D Struct Biol, 73, 2017
1ZPI
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BU of 1zpi by Molmil
Crystal structure analysis of the minor groove binding quinolinium quaternary salt SN 8224 complexed with CGCGAATTCGCG
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM, MAGNESIUM ION
Authors:Adams, A, Leong, C, Denny, W.A, Guss, J.M.
Deposit date:2005-05-16
Release date:2005-10-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61, 2005
4MOR
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BU of 4mor by Molmil
Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated galactose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
Deposit date:2013-09-12
Release date:2014-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
2XYS
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BU of 2xys by Molmil
Crystal structure of Aplysia californica AChBP in complex with strychnine
Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR, STRYCHNINE
Authors:Brams, M, Pandya, A, Kuzmin, D, van Elk, R, Krijnen, L, Yakel, J.L, Tsetlin, V, Smit, A.B, Ulens, C.
Deposit date:2010-11-19
Release date:2011-03-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:A Structural and Mutagenic Blueprint for Molecular Recognition of Strychnine and D-Tubocurarine by Different Cys-Loop Receptors.
Plos Biol., 9, 2011
1XJY
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BU of 1xjy by Molmil
The crystal structures of the DNA binding sites of the RUNX1 transcription factor
Descriptor: 5'-D(*TP*CP*TP*GP*CP*GP*GP*TP*C)-3', 5'-D(*TP*GP*AP*CP*CP*GP*CP*AP*G)-3'
Authors:Kitayner, M, Rozenberg, H, Rabinovich, D, Shakked, Z.
Deposit date:2004-09-26
Release date:2005-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the DNA-binding site of Runt-domain transcription regulators.
Acta Crystallogr.,Sect.D, 61, 2005
2Y3R
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BU of 2y3r by Molmil
Structure of the tirandamycin-bound FAD-dependent tirandamycin oxidase TamL in P21 space group
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H.
Deposit date:2010-12-22
Release date:2011-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Nat.Chem, 3, 2011
2Y1D
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BU of 2y1d by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese.
Descriptor: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
1XJX
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BU of 1xjx by Molmil
The crystal structures of the DNA binding sites of the RUNX1 transcription factor
Descriptor: 5'-D(*TP*CP*TP*GP*CP*GP*GP*TP*C)-3', 5'-D(*TP*GP*AP*CP*CP*GP*CP*AP*G)-3'
Authors:Kitayner, M, Rozenberg, H, Rabinovich, D, Shakked, Z.
Deposit date:2004-09-26
Release date:2005-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the DNA-binding site of Runt-domain transcription regulators.
Acta Crystallogr.,Sect.D, 61, 2005
5XG5
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BU of 5xg5 by Molmil
Crystal structure of Mitsuba-1 with bound NAcGal
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1
Authors:Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2017-04-12
Release date:2017-07-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity.
Sci Rep, 7, 2017
5U9U
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BU of 5u9u by Molmil
De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands
Descriptor: Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ...
Authors:Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2016-12-18
Release date:2017-04-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
5X9Q
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BU of 5x9q by Molmil
Crystal structure of HldC from Burkholderia pseudomallei
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative cytidylyltransferase
Authors:Park, J, Kim, H, Kim, S, Lee, D, Shin, D.H.
Deposit date:2017-03-08
Release date:2017-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of D-glycero-Beta-D-manno-heptose-1-phosphate adenylyltransferase from Burkholderia pseudomallei.
Proteins, 86, 2018
5XF2
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BU of 5xf2 by Molmil
Crystal structure of SeMet-HldC from Burkholderia pseudomallei
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative cytidylyltransferase
Authors:Park, J, Kim, H, Kim, S, Lee, D, Shin, D.H.
Deposit date:2017-04-07
Release date:2017-07-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Expression and crystallographic studies of D-glycero-beta-D-manno-heptose-1-phosphate adenylyltransferase from Burkholderia pseudomallei
Acta Crystallogr F Struct Biol Commun, 73, 2017
3GCQ
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BU of 3gcq by Molmil
Human P38 MAP kinase in complex with RL45
Descriptor: 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
1S2J
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BU of 1s2j by Molmil
Crystal structure of the Drosophila pattern-recognition receptor PGRP-SA
Descriptor: PHOSPHATE ION, Peptidoglycan recognition protein SA CG11709-PA
Authors:Chang, C.-I, Pili-Floury, S, Chelliah, Y, Lemaitre, B, Mengin-Lecreulx, D, Deisenhofer, J.
Deposit date:2004-01-08
Release date:2004-09-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Drosophila pattern recognition receptor contains a peptidoglycan docking groove and unusual l,d-carboxypeptidase activity.
PLOS BIOL., 2, 2004
5MY6
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BU of 5my6 by Molmil
Crystal structure of a HER2-Nb complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Sterckx, Y.G.-J, D'Huyvetter, M, Devoogdt, N.
Deposit date:2017-01-25
Release date:2017-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:(131)I-labeled Anti-HER2 Camelid sdAb as a Theranostic Tool in Cancer Treatment.
Clin. Cancer Res., 23, 2017
3NV8
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BU of 3nv8 by Molmil
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase in complex with phosphoenol pyruvate and manganese (thesit-free)
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Parker, E.J, Jameson, G.B, Jiao, W, Hutton, R.H, Webby, C.J, Baker, E.N, Baker, H.M.
Deposit date:2010-07-08
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
3DNI
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BU of 3dni by Molmil
CRYSTALLOGRAPHIC REFINEMENT AND STRUCTURE OF DNASE I AT 2 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, DEOXYRIBONUCLEASE I, alpha-D-galactopyranose-(1-6)-beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Oefner, C, Suck, D.
Deposit date:1992-08-20
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic refinement and structure of DNase I at 2 A resolution.
J.Mol.Biol., 192, 1986
3NU0
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BU of 3nu0 by Molmil
Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Descriptor: (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-06
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011

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