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3IQG
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BU of 3iqg by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNWNI
Descriptor: Cysteine synthase, MNWNI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
2XA9
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BU of 2xa9 by Molmil
Crystal structure of trehalose synthase TreT mutant E326A from P. horikoshii in complex with UDPG
Descriptor: TREHALOSE-SYNTHASE TRET, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Song, H.-N, Jung, T.-Y, Yoon, S.-M, Lee, S.-B, Lim, M.-Y, Woo, E.-J.
Deposit date:2010-03-30
Release date:2011-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights on the New Mechanism of Trehalose Synthesis by Trehalose Synthase Tret from Pyrococcus Horikoshii.
J.Mol.Biol., 404, 2010
5ONC
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BU of 5onc by Molmil
Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis is Controlled by a Redox-Sensitive Thiol Switch
Descriptor: CHLORIDE ION, Steroid 3-ketoacyl-CoA thiolase
Authors:Schaefer, C, Kuper, J, Sampson, N.S, Kisker, C.
Deposit date:2017-08-03
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis Is Controlled by a Redox-Sensitive Thiol Switch.
ACS Infect Dis, 3, 2017
2X5V
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BU of 2x5v by Molmil
80 microsecond laue diffraction snapshot from crystals of a photosynthetic reaction centre 3 millisecond following photoactivation.
Descriptor: BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, FE (II) ION, ...
Authors:Wohri, A.B, Katona, G, Johansson, L.C, Fritz, E, Malmerberg, E, Andersson, M, Vincent, J, Eklund, M, Cammarata, M, Wulff, M, Davidsson, J, Groenhof, G, Neutze, R.
Deposit date:2010-02-10
Release date:2010-05-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Light-Induced Structural Changes in a Photosynthetic Reaction Center Caught by Laue Diffraction.
Science, 328, 2010
6AOG
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BU of 6aog by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (pyrimethamine)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ...
Authors:Thomas, S.B, Li, Y, Chen, Z, Lu, H.
Deposit date:2017-08-16
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
2WJM
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BU of 2wjm by Molmil
Lipidic sponge phase crystal structure of the photosynthetic reaction centre from Blastochloris viridis (low dose)
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Woehri, A.B, Wahlgren, W.Y, Malmerberg, E, Johansson, L.C, Neutze, R, Katona, G.
Deposit date:2009-05-27
Release date:2009-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Lipidic sponge phase crystal structure of a photosynthetic reaction center reveals lipids on the protein surface.
Biochemistry, 48, 2009
3O04
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BU of 3o04 by Molmil
Crystal structure of the beta-keto-acyl carrier protein synthase II (lmo2201) from Listeria monocytogenes
Descriptor: beta-keto-acyl carrier protein synthase II
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-19
Release date:2010-08-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the beta-keto-acyl carrier protein synthase II (lmo2201) from Listeria monocytogenes
To be Published
7BPU
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BU of 7bpu by Molmil
Structural and mechanistic insights into the biosynthesis of Digeranylgeranylglyceryl phosphate synthase in membranes
Descriptor: Digeranylgeranylglyceryl phosphate synthase, PHOSPHATE ION
Authors:Cheng, W, Ren, S.
Deposit date:2020-03-23
Release date:2021-04-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structural and Functional Insights into an Archaeal Lipid Synthase
Cell Rep, 33, 2020
6ARR
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BU of 6arr by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions
Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-23
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
5I6D
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BU of 5i6d by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]
Descriptor: 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ...
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
7L1K
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BU of 7l1k by Molmil
Cryo-EM structure of S. Pombe NatC complex with a Bisubstrate inhibitor and inositol hexaphosphate
Descriptor: CARBOXYMETHYL COENZYME *A, INOSITOL HEXAKISPHOSPHATE, MLGP peptide, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2020-12-14
Release date:2021-05-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Molecular mechanism of N-terminal acetylation by the ternary NatC complex.
Structure, 29, 2021
5I7A
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BU of 5i7a by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-17
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
3O24
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BU of 3o24 by Molmil
Crystal structure of the brevianamide F prenyltransferase FtmPT1 from Aspergillus fumigatus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, CHLORIDE ION, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010
5ICW
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BU of 5icw by Molmil
Crystal structure of human NatF (hNaa60) homodimer bound to Coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, N-alpha-acetyltransferase 60
Authors:Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2016-02-23
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
6B0U
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BU of 6b0u by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a Lys-containing peptide
Descriptor: COENZYME A, N-acetyltransferase Eis, Synthetic peptide ATKAPAKKA
Authors:Biswas, T, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2017-09-15
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acetylation by Eis and Deacetylation by Rv1151c of Mycobacterium tuberculosis HupB: Biochemical and Structural Insight.
Biochemistry, 57, 2018
3O6D
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BU of 3o6d by Molmil
Pyridoxal phosphate biosynthetic protein PdxJ from Campylobacter jejuni in complex with pyridoxine-5'-phosphate
Descriptor: PHOSPHATE ION, PYRIDOXINE-5'-PHOSPHATE, Pyridoxine 5'-phosphate synthase
Authors:Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-28
Release date:2010-08-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystal structure of pyridoxal phosphate biosynthetic protein PdxJ from Campylobacter jejuni.
To be Published
6AUJ
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BU of 6auj by Molmil
Crystal structure of thymidylate synthase from Elizabethkingia anophelis NUHP1
Descriptor: TRIETHYLENE GLYCOL, Thymidylate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-09-01
Release date:2017-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of thymidylate synthase from Elizabethkingia anophelis NUHP1
To be Published
2VZY
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BU of 2vzy by Molmil
Crystal structure of Rv0802c from Mycobacterium tuberculosis in an unliganded form.
Descriptor: 2-ETHOXYETHANOL, ACETATE ION, CITRATE ANION, ...
Authors:Vetting, M.W, Errey, J.C, Blanchard, J.S.
Deposit date:2008-08-07
Release date:2009-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rv0802C from Mycobacterium Tuberculosis: The First Structure of a Succinyltransferase with the Gnat Fold.
Acta Crystallogr.,Sect.F, 64, 2008
5IDM
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BU of 5idm by Molmil
Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cell cycle histidine kinase CckA, MAGNESIUM ION, ...
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2016-02-24
Release date:2016-10-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking.
Sci Adv, 2, 2016
3ICZ
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BU of 3icz by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ...
Authors:Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
Deposit date:2009-07-19
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
7L4L
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BU of 7l4l by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ...
Authors:Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P.
Deposit date:2020-12-19
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
4CMX
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BU of 4cmx by Molmil
Crystal structure of Rv3378c
Descriptor: 1,2-ETHANEDIOL, BENZENE HEXACARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
Deposit date:2014-01-18
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
7W6G
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BU of 7w6g by Molmil
TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA
Descriptor: 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Nakashima, Y, Lee, Y.E, Morita, H.
Deposit date:2021-12-01
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
4CTI
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BU of 4cti by Molmil
Escherichia coli EnvZ histidine kinase catalytic part fused to Archaeoglobus fulgidus Af1503 HAMP domain
Descriptor: OSMOLARITY SENSOR PROTEIN ENVZ, AF1503
Authors:Ferris, H.U, Coles, M, Lupas, A.N, Hartmann, M.D.
Deposit date:2014-03-13
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Crystallographic Snapshot of the Escherichia Coli Envz Histidine Kinase in an Active Conformation.
J.Struct.Biol., 186, 2014
5SNH
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BU of 5snh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(4-fluorophenyl)piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023

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數據於2024-10-16公開中

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