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5IFS
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BU of 5ifs by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Roske, Y, Arumughan, A, Heinemann, U, Wanker, E.
Deposit date:2016-02-26
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
6ALA
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BU of 6ala by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate
Descriptor: CITRATE ANION, COPPER (II) ION, GLYCEROL, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-07
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
1P2Q
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BU of 1p2q by Molmil
Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chymotrypsinogen A, Pancreatic trypsin inhibitor, ...
Authors:Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O.
Deposit date:2003-04-15
Release date:2004-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
6ALV
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BU of 6alv by Molmil
Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound)
Descriptor: AZIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-08
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
3KE6
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BU of 3ke6 by Molmil
The crystal structure of the RsbU and RsbW domains of Rv1364c from Mycobacterium tuberculosis
Descriptor: GLYCEROL, MANGANESE (II) ION, Protein Rv1364c/MT1410, ...
Authors:King-Scott, J, Panjikar, S, Tucker, P.A.
Deposit date:2009-10-24
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the RsbU and RsbW domains of Rv1364c from Mycobacterium tuberculosis
To be Published
6AO6
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BU of 6ao6 by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-15
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
4N9S
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BU of 4n9s by Molmil
High resolution X-RAY STRUCTURE OF URATE OXIDASE IN COMPLEX WITH 8-HYDROXYXANTHINE
Descriptor: 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Oksanen, E, Blakeley, M.P, Budayova-Spano, M.
Deposit date:2013-10-21
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
6C3U
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BU of 6c3u by Molmil
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY2) bound
Descriptor: 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one, FosA family fosfomycin resistance glutathione transferase, GLYCEROL, ...
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2018-01-10
Release date:2018-12-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
3L2R
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BU of 3l2r by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2Q
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BU of 3l2q by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in apo form
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', GLYCEROL, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2U
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BU of 3l2u by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and GS9137 (Elvitegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2V
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BU of 3l2v by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and MK0518 (Raltegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
6S22
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BU of 6s22 by Molmil
Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and FGF23c
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2019-06-20
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3.
Nat.Chem.Biol., 16, 2020
4ZJZ
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BU of 4zjz by Molmil
Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP
Descriptor: 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, BENZOIC ACID, Benzoate-coenzyme A ligase, ...
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2015-04-29
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
3L2W
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BU of 3l2w by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and GS9137 (Elvitegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
4C7P
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BU of 4c7p by Molmil
Crystal structure of Legionella pneumophila RalF F255K mutant
Descriptor: GLYCEROL, RALF
Authors:Folly-Klan, M, Alix, E, Stalder, D, Ray, P, Duarte, L.V, Delprato, A, Zeghouf, M, Antonny, B, Campanacci, V, Roy, C.R, Cherfils, J.
Deposit date:2013-09-24
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Novel Membrane Sensor Controls the Localization and Arfgef Activity of Bacterial Ralf.
Plos Pathog., 9, 2013
6I46
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BU of 6i46 by Molmil
Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Descriptor: (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
4D7Q
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BU of 4d7q by Molmil
Crystal structure of a chimeric protein with the Sec7 domain of Legionella pneumophila RalF and the capping domain of Rickettsia prowazekii RalF
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Folly-Klan, M, Sancerne, B, Alix, E, Roy, C.R, Cherfils, J, Campanacci, V.
Deposit date:2014-11-27
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.
J.Struct.Biol., 189, 2015
4XWH
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BU of 4xwh by Molmil
Crystal structure of the human N-acetyl-alpha-glucosaminidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylglucosaminidase, ...
Authors:Birrane, G, Meiyappan, M, Dassier, A.
Deposit date:2015-01-28
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural characterization of the alpha-N-acetylglucosaminidase, a key enzyme in the pathogenesis of Sanfilippo syndrome B.
J.Struct.Biol., 205, 2019
6LFQ
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BU of 6lfq by Molmil
Crystal structure of Poa1p in apo form
Descriptor: ADP-ribose 1''-phosphate phosphatase, GLYCEROL
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6H0B
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BU of 6h0b by Molmil
Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ...
Authors:de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2018-07-08
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
6H28
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BU of 6h28 by Molmil
Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the absence of DTT
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6H2A
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BU of 6h2a by Molmil
Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the presence of DTT
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Beta-lactamase, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
1A5Q
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BU of 1a5q by Molmil
P93A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A
Descriptor: RIBONUCLEASE A, SULFATE ION
Authors:Pearson, M.A, Karplus, P.A, Dodge, R.W, Laity, J.H, Scheraga, H.A.
Deposit date:1998-02-17
Release date:1998-05-27
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of two mutants that have implications for the folding of bovine pancreatic ribonuclease A.
Protein Sci., 7, 1998
4OEJ
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BU of 4oej by Molmil
Structure of membrane binding protein pleurotolysin B from Pleurotus ostreatus
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P.
Deposit date:2014-01-13
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015

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