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2XZC
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BU of 2xzc by Molmil
Crystal Structure of phosphonate-modified recombinant A.17 antibody FAB fragment
Descriptor: 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, CHLORIDE ION, FAB A.17 HEAVY CHAIN, ...
Authors:Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A.
Deposit date:2010-11-24
Release date:2011-09-21
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y0F
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BU of 2y0f by Molmil
STRUCTURE OF GCPE (IspG) FROM THERMUS THERMOPHILUS HB27
Descriptor: 4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE, IRON/SULFUR CLUSTER
Authors:Rekittke, I, Nonaka, T, Wiesner, J, Demmer, U, Warkentin, E, Jomaa, H, Ermler, U.
Deposit date:2010-12-02
Release date:2011-01-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the E-1-Hydroxy-2-Methyl-But-2-Enyl-4-Diphosphate Synthase (Gcpe) from Thermus Thermophilus.
FEBS Lett., 585, 2011
6SLA
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BU of 6sla by Molmil
Crystal structure of isomerase PaaG mutant - D136N with Oxepin-CoA
Descriptor: Enoyl-CoA hydratase/carnithine racemase, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate
Authors:Saleem-Batcha, R, Spieker, M, Teufel, R.
Deposit date:2019-08-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
6SOV
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BU of 6sov by Molmil
Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha
Descriptor: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-30
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
2XBU
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BU of 2xbu by Molmil
Saccharomyces cerevisiae hypoxanthine-guanine phosphoribosyltransferase in complex with GMP (monoclinic crystal form)
Descriptor: ACETATE ION, GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Moynie, L, Giraud, M.F, Breton, A, Boissier, F, Daignan-Fornier, B, Dautant, A.
Deposit date:2010-04-15
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional Significance of Four Successive Glycine Residues in the Pyrophosphate Binding Loop of Fungal 6-Oxopurine Phosphoribosyltransferases.
Protein Sci., 21, 2012
5N97
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BU of 5n97 by Molmil
Structure of the C. crescentus S-layer
Descriptor: CALCIUM ION, S-layer protein rsaA
Authors:Bharat, T.A, Hagen, W.J, Briggs, J.A, Lowe, J.
Deposit date:2017-02-24
Release date:2017-04-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of the hexagonal surface layer on Caulobacter crescentus cells.
Nat Microbiol, 2, 2017
5NCK
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BU of 5nck by Molmil
The Crystal Structure of N-acetylmannosamine kinase in Fusobacterium nucleatum
Descriptor: N-acetylmannosamine kinase
Authors:Caing-Carlsson, R, Sharma, A, Friemann, R, Ramaswamy, S.
Deposit date:2017-03-06
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of N-acetylmannosamine kinase from Fusobacterium nucleatum.
Acta Crystallogr F Struct Biol Commun, 73, 2017
2WV5
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BU of 2wv5 by Molmil
Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction with a GLN to Glu substitution at P1
Descriptor: FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C
Authors:Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S.
Deposit date:2009-10-13
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
2WWY
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BU of 2wwy by Molmil
Structure of human RECQ-like helicase in complex with a DNA substrate
Descriptor: 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ...
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2009-10-30
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
7CGS
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BU of 7cgs by Molmil
Crystal endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L343F from Prunus communis
Descriptor: (R)-mandelonitrile lyase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, Y.C, Li, F.L.
Deposit date:2020-07-02
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A High-Throughput Screening Method for the Directed Evolution of Hydroxynitrile Lyase towards Cyanohydrin Synthesis.
Chembiochem, 22, 2021
5NL2
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BU of 5nl2 by Molmil
cryo-EM structure of the mTMEM16A ion channel at 6.6 A resolution.
Descriptor: Anoctamin-1
Authors:Paulino, C, Neldner, Y, Lam, K.M, Kalienkova, V, Brunner, J.D, Schenck, S, Dutzler, R.
Deposit date:2017-04-03
Release date:2017-06-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural basis for anion conduction in the calcium-activated chloride channel TMEM16A.
Elife, 6, 2017
7YLF
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BU of 7ylf by Molmil
Crystal structure of the chicken Toll-like receptor 15 TIR domain (2-mercaptoethanol adduct)
Descriptor: GLYCEROL, SULFATE ION, Toll-like receptor 15
Authors:Ko, K.Y, Song, W.S, Yoon, S.I.
Deposit date:2022-07-26
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the Toll-like receptor 15 TIR domain.
Iucrj, 10, 2023
1LB9
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BU of 1lb9 by Molmil
Crystal structure of the Non-desensitizing GluR2 ligand binding core mutant (S1S2J-L483Y) in complex with antagonist DNQX at 2.3 A resolution
Descriptor: 6,7-DINITROQUINOXALINE-2,3-DIONE, Glutamate receptor 2, SULFATE ION
Authors:Sun, Y, Olson, R, Horning, M, Armstrong, N, Mayer, M, Gouaux, E.
Deposit date:2002-04-02
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of glutamate receptor desensitization.
Nature, 417, 2002
7AGH
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BU of 7agh by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with AMPPNP-Mg
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Sulfofructose kinase
Authors:Sharma, M, Davies, G.J, Jin, Y.
Deposit date:2020-09-22
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG4
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BU of 7ag4 by Molmil
Crystal structure of active site mutant of SQ Isomerase (YihS-H248A) from Salmonella enterica in complex with sulfofructose (SF)
Descriptor: 6-deoxy-6-sulfo-D-fructose, Sulfoquinovose isomerase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG7
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BU of 7ag7 by Molmil
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
Descriptor: SULFATE ION, Sulfofructosephosphate aldolase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
5G1U
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BU of 5g1u by Molmil
Linalool Dehydratase Isomerase in complex with Geraniol
Descriptor: Geraniol, LINALOOL DEHYDRATASE/ISOMERASE
Authors:Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G.
Deposit date:2016-03-30
Release date:2017-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
7AG1
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BU of 7ag1 by Molmil
Crystal structure of E. coli SFP aldolase (YihT) from sulfo-EMP pathway
Descriptor: 1,2-ETHANEDIOL, Sulfofructosephosphate aldolase
Authors:Sharma, M, Davies, G.J, Jin, Y.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG6
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BU of 7ag6 by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with sulfofructose (SF), ADP-Mg
Descriptor: 6-deoxy-6-sulfo-D-fructose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
2WV4
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BU of 2wv4 by Molmil
Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction
Descriptor: FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C
Authors:Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S.
Deposit date:2009-10-13
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
7AGK
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BU of 7agk by Molmil
Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP)
Descriptor: Sulfofructose kinase, [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-22
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
5LC6
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BU of 5lc6 by Molmil
Crystal structure of a single chain monellin mutant: Q28K/C41S/Y65R-MNEI
Descriptor: Monellin chain B,Monellin chain A, SULFATE ION
Authors:Pica, A, Merlino, A.
Deposit date:2016-06-19
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sweeter and stronger: enhancing sweetness and stability of the single chain monellin MNEI through molecular design.
Sci Rep, 6, 2016
7B2L
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BU of 7b2l by Molmil
Structure of the endocytic adaptor complex AENTH
Descriptor: ANTH domain of Sla2, ENTH domain of epsin Ent1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Klebl, D.P, Lizarrondo, J, Sobott, F, Garcia-Alai, M, Muench, S.P.
Deposit date:2020-11-27
Release date:2021-05-05
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the endocytic adaptor complex reveals the basis for efficient membrane anchoring during clathrin-mediated endocytosis.
Nat Commun, 12, 2021
7AX1
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BU of 7ax1 by Molmil
Crystal structure of the human CCR4-CAF1 complex
Descriptor: CCR4-NOT transcription complex subunit 6, CCR4-NOT transcription complex subunit 7, MAGNESIUM ION
Authors:Chen, Y, Khazina, E, Weichenrieder, O.
Deposit date:2020-11-09
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure and functional properties of the human CCR4-CAF1 deadenylase complex.
Nucleic Acids Res., 49, 2021
5HBR
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BU of 5hbr by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and coenzyme A
Descriptor: COENZYME A, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2016-01-02
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016

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