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6PK2
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BU of 6pk2 by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide, Propionyl-CoA carboxylase subunit beta
Authors:Reddy, M.C.M, Nian, Z, Michele, T.C.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Elucidating the Inhibition and specificity of binding of herbicidal aryloxyphenoxypropionates derivatives to Mycobacterium tuberculosis carboxyltransferase domain of acetyl-coenzyme A(AccD6).
To Be Published
4V3U
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BU of 4v3u by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4V61
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BU of 4v61 by Molmil
Homology model for the Spinach chloroplast 30S subunit fitted to 9.4A cryo-EM map of the 70S chlororibosome.
Descriptor: 16S rRNA, 23S rRNA, 4.8S rRNA, ...
Authors:Sharma, M.R, Wilson, D.N, Datta, P.P, Barat, C, Schluenzen, F, Fucini, P, Agrawal, R.K.
Deposit date:2007-11-09
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Cryo-EM study of the spinach chloroplast ribosome reveals the structural and functional roles of plastid-specific ribosomal proteins
Proc.Natl.Acad.Sci.Usa, 104, 2007
5J3O
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BU of 5j3o by Molmil
Protruding domain of GII.4 human norovirus NSW0514 in complex with 3-fucosyllactose (3FL)
Descriptor: 1,2-ETHANEDIOL, VP1, alpha-L-fucopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2016-03-31
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for GII.4 norovirus inhibition by human milk oligosaccharides.
To be published
4DU8
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BU of 4du8 by Molmil
Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with inhibitor DPGP
Descriptor: 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline, GLYCEROL, Mevalonate diphosphate decarboxylase
Authors:Barta, M.L, McWhorter, W.J, Geisbrecht, B.V.
Deposit date:2012-02-21
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for nucleotide binding and reaction catalysis in mevalonate diphosphate decarboxylase.
Biochemistry, 51, 2012
4V42
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BU of 4v42 by Molmil
Crystal structure of the ribosome at 5.5 A resolution.
Descriptor: 30S 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Yusupov, M.M, Yusupova, G.Z, Baucom, A, Lieberman, K, Earnest, T.N, Cate, J.H.D, Noller, H.F.
Deposit date:2001-03-30
Release date:2014-07-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Crystal structure of the ribosome at 5.5 A resolution
Science, 292, 2001
4V6N
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BU of 4v6n by Molmil
Structural characterization of mRNA-tRNA translocation intermediates (50S ribosome of class2 of the six classes)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Liao, H, Schreiner, E, Fu, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-12-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (12.1 Å)
Cite:Structural characterization of mRNA-tRNA translocation intermediates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
Authors:Nichols, D.N, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DEF
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BU of 4def by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2012-01-20
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:Steegborn, C.
Deposit date:2023-02-23
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
4V4H
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BU of 4v4h by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with the antibiotic kasugamyin at 3.5A resolution.
Descriptor: (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE, 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, ...
Authors:Schuwirth, B.S, Vila-Sanjurjo, A, Cate, J.H.D.
Deposit date:2006-08-04
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structural analysis of kasugamycin inhibition of translation.
Nat.Struct.Mol.Biol., 13, 2006
4W50
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BU of 4w50 by Molmil
Structure of the EphA4 LBD in complex with peptide
Descriptor: 1,3-BUTANEDIOL, APY peptide, Ephrin type-A receptor 4, ...
Authors:Lechtenberg, B.C, Mace, P.D, Riedl, S.J.
Deposit date:2014-08-16
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Acs Chem.Biol., 9, 2014
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Pozzi, N, Chen, Z, Di Cera, E.
Deposit date:2016-04-17
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
4W5P
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BU of 4w5p by Molmil
Prp peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PrP peptide
Authors:Yu, L, Lee, S.-J, Yee, V.
Deposit date:2014-08-18
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
4DH2
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BU of 4dh2 by Molmil
Crystal structure of Coh-OlpC(Cthe_0452)-Doc435(Cthe_0435) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405
Descriptor: CALCIUM ION, Cellulosome anchoring protein cohesin region, Dockerin type 1, ...
Authors:Alves, V.D, Carvalho, A.L, Najmudin, S.H, Bras, J, Prates, J.A.M, Fontes, C.M.G.A.
Deposit date:2012-01-27
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode.
J.Biol.Chem., 287, 2012
1QRS
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BU of 1qrs by Molmil
GLUTAMINYL-TRNA SYNTHETASE MUTANT D235N COMPLEXED WITH GLUTAMINE TRANSFER RNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (GLUTAMINYL-TRNA SYNTHETASE (E.C.6.1.1.18)), TRNAGLN2
Authors:Arnez, J.G, Steitz, T.A.
Deposit date:1996-06-14
Release date:1996-12-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of three misacylating mutants of Escherichia coli glutaminyl-tRNA synthetase complexed with tRNA(Gln) and ATP.
Biochemistry, 35, 1996
4W67
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BU of 4w67 by Molmil
Crystal structure of Prp peptide
Descriptor: PrP peptide
Authors:Yu, L, Lee, S.-J, Yee, V.
Deposit date:2014-08-20
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.001 Å)
Cite:Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
1QRT
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BU of 1qrt by Molmil
GLUTAMINYL-TRNA SYNTHETASE MUTANT D235G COMPLEXED WITH GLUTAMINE TRANSFER RNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (GLUTAMINYL-TRNA SYNTHETASE (E.C.6.1.1.18)), TRNAGLN2
Authors:Arnez, J.G, Steitz, T.A.
Deposit date:1996-06-14
Release date:1996-12-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of three misacylating mutants of Escherichia coli glutaminyl-tRNA synthetase complexed with tRNA(Gln) and ATP.
Biochemistry, 35, 1996
6P4D
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BU of 6p4d by Molmil
Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
4DZW
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BU of 4dzw by Molmil
Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Aripirala, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2012-03-01
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
6P7U
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BU of 6p7u by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
To Be Published
4DKA
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BU of 4dka by Molmil
Structure of Editosome protein
Descriptor: RNA-editing complex protein MP81, SODIUM ION, single domain antibody VHH
Authors:Park, Y.-J, Hol, W.
Deposit date:2012-02-03
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2.
Nucleic Acids Res., 40, 2012
8COT
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BU of 8cot by Molmil
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
Descriptor: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
Descriptor: COAT PROTEIN
Authors:Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
Deposit date:2011-02-01
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011

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數據於2024-08-07公開中

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