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5SNV
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BU of 5snv by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z295848548
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine, 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 (1.9 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOF
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BU of 5sof by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOE
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BU of 5soe by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-methoxy-1H-indole, 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 (1.59 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO0
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BU of 5so0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z24758179
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 (2.28 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOD
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BU of 5sod by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1730522163
Descriptor: 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one, 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 (1.64 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNX
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BU of 5snx by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1267881672
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-L-prolinamide, ...
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
5SNI
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BU of 5sni by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z285782452
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-methyl-2-(methylsulfonyl)aniline, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOB
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BU of 5sob by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2204875953
Descriptor: (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole, 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 (1.61 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNW
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BU of 5snw by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNE
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BU of 5sne by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z192955056
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 (1.96 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOA
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BU of 5soa by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
Descriptor: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 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 (1.54 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNU
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BU of 5snu by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, 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 (1.98 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO8
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BU of 5so8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SN6
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BU of 5sn6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
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 (1.75 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNN
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BU of 5snn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, 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 (2.08 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
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 (2.07 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
6U2L
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BU of 6u2l by Molmil
EM structure of MPEG-1 (L425K, beta conformation) soluble pre-pore complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
Authors:Pang, S.S, Bayly-Jones, C.
Deposit date:2019-08-20
Release date:2019-09-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
1F5F
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BU of 1f5f by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Avvakumov, V.A, Muller, Y.A, Hammond, G.L.
Deposit date:2000-06-14
Release date:2000-09-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site.
J.Biol.Chem., 275, 2000
3I83
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BU of 3i83 by Molmil
Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus
Descriptor: 2-dehydropantoate 2-reductase, ACETIC ACID
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Chang, S, Sampathkumar, P, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-07-09
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus
To be Published
6U2K
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BU of 6u2k by Molmil
EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
Authors:Pang, S.S, Bayly-Jones, C.
Deposit date:2019-08-20
Release date:2019-09-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
7AY7
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BU of 7ay7 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin
Descriptor: 3C-like proteinase, 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine, DI(HYDROXYETHYL)ETHER, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-11
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
1WA6
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BU of 1wa6 by Molmil
The structure of ACC oxidase
Descriptor: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, FE (II) ION, PHOSPHATE ION, ...
Authors:Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J.
Deposit date:2004-10-25
Release date:2005-10-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme)
Chem.Biol., 11, 2004
7ZV9
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BU of 7zv9 by Molmil
Crystal structure of FLT3 in complex with a monomeric FLT3 Ligand variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fms-related tyrosine kinase 3 ligand, ...
Authors:Pannecoucke, E, Savvides, S.N.
Deposit date:2022-05-14
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (4.507 Å)
Cite:Crystal structure of FLT3 in complex with a monomeric FLT3 Ligand variant
To Be Published
1IAX
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BU of 1iax by Molmil
CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH PLP
Descriptor: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H.
Deposit date:2001-03-24
Release date:2001-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms
J.Biol.Chem., 276, 2001
3OF6
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BU of 3of6 by Molmil
Human pre-T cell receptor crystal structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pre T-cell antigen receptor alpha, T cell receptor beta chain
Authors:Pang, S.S.
Deposit date:2010-08-13
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis for autonomous dimerization of the pre-T-cell antigen receptor
Nature, 467, 2010

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