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3RRF
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BU of 3rrf by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-04-29
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RRS
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BU of 3rrs by Molmil
Crystal structure analysis of cellobiose phosphorylase from Cellulomonas uda
Descriptor: Cellobiose phosphorylase
Authors:Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
Deposit date:2011-04-30
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
3RQ2
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BU of 3rq2 by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADH
Descriptor: ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-27
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3IRO
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BU of 3iro by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase complexed with NADPH and Q-8 antifolate
Descriptor: 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2009-08-24
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
3ISX
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BU of 3isx by Molmil
Crystal structure of Endoglucanase (TM1050) from THERMOTOGA MARITIMA at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, Endoglucanase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-08-27
Release date:2009-09-08
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Endoglucanase (TM1050) from THERMOTOGA MARITIMA at 1.40 A resolution
To be published
3RTD
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BU of 3rtd by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH and ADP.
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-03
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3IT9
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BU of 3it9 by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
Descriptor: D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3IG4
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BU of 3ig4 by Molmil
Structure of a putative aminopeptidase P from Bacillus anthracis
Descriptor: MANGANESE (II) ION, SULFATE ION, Xaa-pro aminopeptidase
Authors:Anderson, S.M, Wawrzak, Z, Skarina, T, Onopriyenko, O, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-07-27
Release date:2009-08-04
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of a putative aminopeptidase P from Bacillus anthracis
To be Published
3RR2
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BU of 3rr2 by Molmil
Structure of a Cysteine synthase (O-Acetylserine Sulfhydrylase (OASS)) from Mycobacterium marinum ATCC BAA-535 / M
Descriptor: Cysteine synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-28
Release date:2011-05-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3IHB
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BU of 3ihb by Molmil
Crystal Structure Analysis of Mglu in its tris and glutamate form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMIC ACID, Salt-tolerant glutaminase
Authors:Yoshimune, K, Shirakihara, Y.
Deposit date:2009-07-29
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product l-glutamate and its activator Tris
Febs J., 277, 2010
3RRE
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BU of 3rre by Molmil
Crystal Structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-04-29
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3IV8
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BU of 3iv8 by Molmil
N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, N-acetylglucosamine-6-phosphate deacetylase, NICKEL (II) ION, ...
Authors:Osipiuk, J, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-31
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:X-ray crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate.
To be Published
3R13
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BU of 3r13 by Molmil
Crystal structure of a Deoxyribose-phosphate aldolase (TM_1559) from THERMOTOGA MARITIMA at 1.83 A resolution
Descriptor: ACETATE ION, Deoxyribose-phosphate aldolase, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-03-09
Release date:2011-03-30
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of a Deoxyribose-phosphate aldolase (TM_1559) from THERMOTOGA MARITIMA at 1.83 A resolution
To be published
3IWI
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BU of 3iwi by Molmil
X-ray crystal structure of the extended-spectrum AmpC omega loop insertion (H210AAA) mutant beta-lactamase at 1.64 Angstrom resolution
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Shoichet, B.K, Thomas, V.L.
Deposit date:2009-09-02
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural bases for stability-function tradeoffs in antibiotic resistance.
J.Mol.Biol., 396, 2010
3R3I
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BU of 3r3i by Molmil
Crystal Structure of C-terminal truncation of UDP-glucose Pyrophosphorylase of Homo sapiens
Descriptor: UTP--glucose-1-phosphate uridylyltransferase
Authors:Zheng, X, Yu, Q.
Deposit date:2011-03-15
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Crystal Structure of UDP-glucose Pyrophosphorylase of Homo sapiens
To be Published
3IJ4
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BU of 3ij4 by Molmil
Cesium sites in the crystal structure of a functional acid sensing ion channel in the desensitized state
Descriptor: Amiloride-sensitive cation channel 2, neuronal, CESIUM ION, ...
Authors:Gonzales, E.B, Gouaux, E.
Deposit date:2009-08-03
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pore architecture and ion sites in acid-sensing ion channels and P2X receptors.
Nature, 460, 2009
3IJG
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BU of 3ijg by Molmil
Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013
Descriptor: (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Crichlow, G.V, Cho, Y, Lolis, E.J.
Deposit date:2009-08-04
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
3I79
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BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
Descriptor: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3R6E
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BU of 3r6e by Molmil
The structure of Thermococcus thioreducens' inorganic pyrophosphatase bound to sulfate
Descriptor: AMMONIUM ION, SULFATE ION, Tt-IPPase
Authors:Hughes, R.C, Meehan, E.J, Ng, J.D.
Deposit date:2011-03-21
Release date:2012-03-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:The structure of Thermococcus thioreducens' inorganic pyrophosphatase bound to sulfate
To be Published
3IKE
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BU of 3ike by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3I85
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BU of 3i85 by Molmil
The Crystal Structure of Human EMMPRIN N-terminal Domain 1
Descriptor: Cervical EMMPRIN
Authors:Luo, J, Gilliland, G.L.
Deposit date:2009-07-09
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the EMMPRIN N-terminal domain 1: Dimerization via beta-strand swapping.
Proteins, 77, 2009
3IMM
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BU of 3imm by Molmil
Crystal structure of Putative glycosyl hydrolase (YP_001301887.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Putative secreted glycosylhydrolase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-08-10
Release date:2009-08-18
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Putative glycosyl hydrolase (YP_001301887.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution
To be published
3R7Q
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BU of 3r7q by Molmil
Structure-based design of thienobenzoxepin inhibitors of PI3- kinase
Descriptor: N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-03-22
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3IAF
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BU of 3iaf by Molmil
Structure of benzaldehyde lyase A28S mutant with monomethyl benzoylphosphonate
Descriptor: Benzaldehyde lyase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J.
Deposit date:2009-07-13
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition.
J.Am.Chem.Soc., 132, 2010
3R95
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BU of 3r95 by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, MccE protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-24
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011

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