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6QSR
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BU of 6qsr by Molmil
The Dehydratase Heterocomplex ApeI:P from Xenorhabdus doucetiae
Descriptor: AMP-dependent synthetase and ligase, Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase FabA/FabZ, SODIUM ION
Authors:Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H.
Deposit date:2019-02-21
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
6QYG
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BU of 6qyg by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
4DQV
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BU of 4dqv by Molmil
Crystal structure of reductase (R) domain of non-ribosomal peptide synthetase from Mycobacterium tuberculosis
Descriptor: PROBABLE PEPTIDE SYNTHETASE NRP (PEPTIDE SYNTHASE)
Authors:Haque, A.S, Panjikar, S, Sankaranarayanan, R.
Deposit date:2012-02-16
Release date:2012-06-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nonprocessive [2 + 2]e- off-loading reductase domains from mycobacterial nonribosomal peptide synthetases.
Proc.Natl.Acad.Sci.USA, 109, 2012
6QYF
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BU of 6qyf by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA.
Descriptor: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
8CN5
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BU of 8cn5 by Molmil
Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN8
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BU of 8cn8 by Molmil
apo Pseudomonas aeruginosa FabF C164A mutant
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNG
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BU of 8cng by Molmil
Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN2
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BU of 8cn2 by Molmil
Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
6QXR
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BU of 6qxr by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA.
Descriptor: CALCIUM ION, COENZYME A, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
4OTJ
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BU of 4otj by Molmil
The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Descriptor: (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2014-02-13
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
8TIM
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BU of 8tim by Molmil
TRIOSE PHOSPHATE ISOMERASE
Descriptor: SULFATE ION, TRIOSE PHOSPHATE ISOMERASE
Authors:Artymiuk, P.J, Taylor, W.R, Phillips, D.C.
Deposit date:1998-08-25
Release date:1999-02-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Triose Phosphate Isomerase
To be Published
4QVH
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BU of 4qvh by Molmil
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
Descriptor: CITRATE ANION, COENZYME A, GLYCEROL, ...
Authors:Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N.
Deposit date:2014-07-15
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
J.Struct.Biol., 188, 2014
4HC6
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BU of 4hc6 by Molmil
Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, H.-B, Han, G.-W, Hung, L.-W, Terwilliger, C.T, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2012-09-28
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
To be Published
8PK8
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BU of 8pk8 by Molmil
Structure of the human mitochondrial iron-sulfur cluster biosynthesis complex during persulfide transfer (persulfide on ISCU2)
Descriptor: Acyl carrier protein, Cysteine desulfurase, FE (II) ION, ...
Authors:Steinhilper, R, Murphy, B.J.
Deposit date:2023-06-26
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Mechanism and structural dynamics of sulfur transfer during de novo [2Fe-2S] cluster assembly on ISCU2.
Nat Commun, 15, 2024
8PKA
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BU of 8pka by Molmil
Structure of the human mitochondrial iron-sulfur cluster biosynthesis complex during persulfide transfer (without frataxin)
Descriptor: Acyl carrier protein, Cysteine desulfurase, FE (II) ION, ...
Authors:Steinhilper, R, Murphy, B.J.
Deposit date:2023-06-26
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Mechanism and structural dynamics of sulfur transfer during de novo [2Fe-2S] cluster assembly on ISCU2.
Nat Commun, 15, 2024
8PK9
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BU of 8pk9 by Molmil
Structure of the human mitochondrial iron-sulfur cluster biosynthesis complex during persulfide transfer (persulfide on NFS1 and ISCU2)
Descriptor: Acyl carrier protein, Cysteine desulfurase, FE (II) ION, ...
Authors:Steinhilper, R, Murphy, B.J.
Deposit date:2023-06-26
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Mechanism and structural dynamics of sulfur transfer during de novo [2Fe-2S] cluster assembly on ISCU2.
Nat Commun, 15, 2024
6B2U
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BU of 6b2u by Molmil
Crystal structure of Xanthomonas campestris OleA H285N with Cerulenin
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
Authors:Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
Deposit date:2017-09-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The role of OleA His285 in substrate coordination of long-chain acyl-CoA
To be published
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
5SN7
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BU of 5sn7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNT
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BU of 5snt by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNL
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BU of 5snl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, 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 (2.05 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOC
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BU of 5soc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, 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 (1.51 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO2
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BU of 5so2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
Descriptor: 2-methoxy-N-phenylacetamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, 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 (2.38 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNB
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BU of 5snb by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172
Descriptor: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, 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 (1.67 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNF
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BU of 5snf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023

224931

數據於2024-09-11公開中

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