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3V5L
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Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
Descriptor: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V6D
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BU of 3v6d by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA
Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2011-12-19
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7048 Å)
Cite:HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3UMB
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BU of 3umb by Molmil
Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362
Descriptor: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-11-12
Release date:2012-11-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
3UMG
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BU of 3umg by Molmil
Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230
Descriptor: CHLORIDE ION, Haloacid dehalogenase
Authors:Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-11-13
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
3UJN
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BU of 3ujn by Molmil
Formyl Glycinamide Ribonucleotide Amidotransferase from Salmonella Typhimurium : Role of the ATP complexation and glutaminase domain in catalytic coupling
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ...
Authors:Anand, R, Morar, M, Tanwar, A.S, Panjikar, S.
Deposit date:2011-11-08
Release date:2012-06-06
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling
Acta Crystallogr.,Sect.D, 68, 2012
3UKL
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BU of 3ukl by Molmil
Crystal structure of UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDP
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, ...
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UMM
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Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: Role of the ATP complexation and glutaminase domain in catalytic coupling
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Anand, R, Morar, M, Tanwar, A.S, Panjikar, S.
Deposit date:2011-11-14
Release date:2012-06-06
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling
Acta Crystallogr.,Sect.D, 68, 2012
3UOG
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BU of 3uog by Molmil
Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021
Descriptor: Alcohol dehydrogenase, SULFATE ION
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-11-16
Release date:2011-12-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021
To be Published
3UTN
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BU of 3utn by Molmil
Crystal structure of Tum1 protein from Saccharomyces cerevisiae
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Thiosulfate sulfurtransferase TUM1
Authors:Qiu, R, Wang, F, Liu, M, Ji, C, Gong, W.
Deposit date:2011-11-26
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Tum1 protein from the yeast Saccharomyces cerevisiae.
Protein Pept.Lett., 19, 2012
3UTT
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BU of 3utt by Molmil
1E6-A*0201-ALWGPDPAAA Complex, Triclinic
Descriptor: 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M, Rossjohn, J, Gras, S.
Deposit date:2011-11-26
Release date:2012-01-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3UOY
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BU of 3uoy by Molmil
Crystal Structure of OTEMO complex with FAD and NADP (form 1)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO, ...
Authors:Shi, R, Matte, A, Cygler, M, Lau, P.
Deposit date:2011-11-17
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453.
Appl.Environ.Microbiol., 78, 2012
3UUX
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BU of 3uux by Molmil
Crystal structure of yeast Fis1 in complex with Mdv1 fragment containing N-terminal extension and coiled coil domains
Descriptor: Mitochondria fission 1 protein, Mitochondrial division protein 1
Authors:Zhang, Y, Chan, N.C, Gristick, H, Chan, D.C.
Deposit date:2011-11-28
Release date:2012-02-08
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of mitochondrial fission complex reveals scaffolding function for mitochondrial division 1 (mdv1) coiled coil.
J.Biol.Chem., 287, 2012
3UPT
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BU of 3upt by Molmil
Crystal structure of a transketolase from Burkholderia pseudomallei bound to TPP, calcium and ribose-5-phosphate
Descriptor: 5-O-phosphono-beta-D-ribofuranose, BROMIDE ION, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-18
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3VGM
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BU of 3vgm by Molmil
Crystal structure of a ROK family glucokinase from Streptomyces griseus in complex with glucose
Descriptor: Glucokinase, POTASSIUM ION, ZINC ION, ...
Authors:Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
3V8A
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BU of 3v8a by Molmil
Thaumatin by Classical Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
Descriptor: GLYCEROL, Thaumatin I
Authors:Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C.
Deposit date:2011-12-22
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
3V9A
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BU of 3v9a by Molmil
Crystal structure of Esterase/Lipase from uncultured bacterium
Descriptor: Esterase/lipase, SULFATE ION
Authors:Kim, I.J, Nam, K.H.
Deposit date:2011-12-24
Release date:2012-02-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of Esterase/Lipase from uncultured bacterium
To be Published
3V9F
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BU of 3v9f by Molmil
Crystal Structure of the extracellular domain of the putative hybrid two component system BT3049 from B. thetaiotaomicron
Descriptor: Two-component system sensor histidine kinase/response regulator, hybrid (One-component system)
Authors:Zhang, Z, Liu, Q, Hendrickson, W.A.
Deposit date:2011-12-27
Release date:2012-03-14
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of apparent saccharide sensors from histidine kinase receptors prevalent in a human gut symbiont.
Febs J., 281, 2014
3VEF
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BU of 3vef by Molmil
Rhodococcus jostii RHA1 DypB N246H variant in complex with heme
Descriptor: CHLORIDE ION, DypB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P.
Deposit date:2012-01-07
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
3VET
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BU of 3vet by Molmil
Crystal structure of the O-carbamoyltransferase TobZ in complex with Tobramycin, carbamoyl phosphate and ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FE (II) ION, ...
Authors:Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
Deposit date:2012-01-09
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3VFJ
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BU of 3vfj by Molmil
The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ...
Authors:Economou, N.J, Weeks, S.D, Grasty, K.C, Loll, P.J.
Deposit date:2012-01-09
Release date:2013-01-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach.
Acta Crystallogr.,Sect.D, 69, 2013
3VFU
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BU of 3vfu by Molmil
crystal structure of HLA B*3508 LPEP-P7Ala, peptide mutant P7-ala
Descriptor: Beta-2-microglobulin, LPEP peptide from EBV, P7A, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2012-01-10
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3VG5
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BU of 3vg5 by Molmil
Barium derivative of human LFABP
Descriptor: BARIUM ION, Fatty acid-binding protein, liver, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VGG
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BU of 3vgg by Molmil
Crystal structure of glycosyltrehalose trehalohydrolase (E283Q) complexed with maltoheptaose
Descriptor: CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase, ...
Authors:Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
3V87
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BU of 3v87 by Molmil
Thaumatin by Classical Hanging Drop Vapour Diffusion after 1.81 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
Descriptor: GLYCEROL, Thaumatin I
Authors:Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C.
Deposit date:2011-12-22
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012

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