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4D9S
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BU of 4d9s by Molmil
Crystal structure of Arabidopsis thaliana UVR8 (UV Resistance locus 8)
Descriptor: UVB-resistance protein UVR8
Authors:Arvai, A.S, Christie, J.M, Pratt, A.J, Hitomi, K, Getzoff, E.D.
Deposit date:2012-01-11
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Plant UVR8 Photoreceptor Senses UV-B by Tryptophan-Mediated Disruption of Cross-Dimer Salt Bridges.
Science, 335, 2012
2G9Z
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BU of 2g9z by Molmil
Thiamin pyrophosphokinase from Candida albicans
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I UM, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Abergel, C, Santini, S, Monchois, V, Rousselle, T, Claverie, J.M, Bacterial targets at IGS-CNRS, France (BIGS)
Deposit date:2006-03-07
Release date:2006-04-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural characterization of CA1462, the Candida albicans thiamine pyrophosphokinase.
Bmc Struct.Biol., 8, 2008
7RES
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BU of 7res by Molmil
HUMAN IMPDH1 TREATED WITH ATP, IMP, AND NAD+, OCTAMER-CENTERED
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Isoform 5 of Inosine-5'-monophosphate dehydrogenase 1, ...
Authors:Burrell, A.L, Kollman, J.M.
Deposit date:2021-07-13
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:IMPDH1 retinal variants control filament architecture to tune allosteric regulation.
Nat.Struct.Mol.Biol., 29, 2022
7RGL
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BU of 7rgl by Molmil
HUMAN RETINAL VARIANT IMPDH1(546) TREATED WITH ATP, IMP, NAD+, INTERFACE-CENTERED
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Burrell, A.L, Kollman, J.M.
Deposit date:2021-07-15
Release date:2022-01-12
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:IMPDH1 retinal variants control filament architecture to tune allosteric regulation.
Nat.Struct.Mol.Biol., 29, 2022
4D0T
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BU of 4d0t by Molmil
GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
2GC1
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BU of 2gc1 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with sorbitol 6-phosphate and zinc
Descriptor: D-SORBITOL-6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
4CR2
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BU of 4cr2 by Molmil
Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome
Descriptor: 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ...
Authors:Unverdorben, P, Beck, F, Sledz, P, Schweitzer, A, Pfeifer, G, Plitzko, J.M, Baumeister, W, Foerster, F.
Deposit date:2014-02-25
Release date:2014-04-02
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Deep Classification of a Large Cryo-Em Dataset Defines the Conformational Landscape of the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 111, 2014
4BBB
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BU of 4bbb by Molmil
THE STRUCTURE OF VACCINIA VIRUS N1 Q61Y MUTANT
Descriptor: N1L
Authors:Maluquer de Motes, C, Cooray, S, McGourty, K, Ren, H, Bahar, M.W, Stuart, D.I, Grimes, J.M, Graham, S.C, Smith, G.L.
Deposit date:2012-09-21
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Inhibition of Apoptosis and NF-kappaB Activation by Vaccinia Protein N1 Occur Via Distinct Binding Surfaces and Make Different Contributions to Virulence.
Plos Pathog., 7, 2011
7S4W
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BU of 7s4w by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7S4Y
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BU of 7s4y by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7SCL
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BU of 7scl by Molmil
The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase B1 (FakB1) mutant R173A in complex with Palmitate to 1.60 Angstrom resolution
Descriptor: Fatty Acid Kinase B1, GLYCEROL, PALMITIC ACID
Authors:Cuypers, M.G, Gullett, J.M, Subramanian, C, Rock, C.O, White, S.W.
Deposit date:2021-09-28
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
7S50
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BU of 7s50 by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ...
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
4B88
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BU of 4b88 by Molmil
Ancestral (GNCA) Beta-lactamase class A
Descriptor: BETA-LACTAMASE, FORMIC ACID
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2012-08-24
Release date:2013-02-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Hyperstability and Substrate Promiscuity in Laboratory Resurrections of Precambrian Beta-Lactamases.
J.Am.Chem.Soc., 135, 2013
7S4R
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BU of 7s4r by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - alpha Spectrin-SH3 domain
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
4BKJ
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BU of 4bkj by Molmil
Crystal structure of the human DDR1 kinase domain in complex with imatinib
Descriptor: 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
Authors:Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-04-25
Release date:2013-05-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
2G7J
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BU of 2g7j by Molmil
Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72.
Descriptor: putative cytoplasmic protein
Authors:Aramini, J.M, Swapna, G.V.T, Ramelot, T.A, Ho, C.K, Cunningham, K, Ma, L.-C, Shetty, K, Xiao, R, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-02-28
Release date:2006-05-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72.
To be Published
2GAM
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BU of 2gam by Molmil
X-ray crystal structure of murine leukocyte-type Core 2 b1,6-N-acetylglucosaminyltransferase (C2GnT-L) in complex with Galb1,3GalNAc
Descriptor: beta-1,6-N-acetylglucosaminyltransferase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Pak, J.E, Rini, J.M.
Deposit date:2006-03-09
Release date:2006-07-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Crystal Structure of Leukocyte Type Core 2 beta1,6-N-Acetylglucosaminyltransferase: Evidence for a covergence of metal ion independent glycosyltransferase mechanism.
J.Biol.Chem., 281, 2006
4B6R
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BU of 4b6r by Molmil
Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
Descriptor: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors:Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4AW1
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BU of 4aw1 by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket
Descriptor: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M.
Deposit date:2012-05-30
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
4BBD
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BU of 4bbd by Molmil
THE STRUCTURE OF VACCINIA VIRUS N1 R58Y MUTANT
Descriptor: N1L
Authors:Maluquer de Motes, C, Cooray, S, McGourty, K, Ren, H, Bahar, M.W, Stuart, D.I, Grimes, J.M, Graham, S.C, Smith, G.L.
Deposit date:2012-09-21
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of Apoptosis and NF-kappaB Activation by Vaccinia Protein N1 Occur Via Distinct Binding Surfaces and Make Different Contributions to Virulence.
Plos Pathog., 7, 2011
4D8L
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BU of 4d8l by Molmil
Crystal structure of the 2-pyrone-4,6-dicarboxylic acid hydrolase from sphingomonas paucimobilis
Descriptor: 2-pyrone-4,6-dicarbaxylate hydrolase
Authors:Malashkevich, V.N, Toro, R, Bonanno, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2012-01-10
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
2GJS
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BU of 2gjs by Molmil
The crystal structure of human RRAD in complex with GDP
Descriptor: GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-03-31
Release date:2006-04-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human RRAD in complex with GDP
To be Published
4CR4
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BU of 4cr4 by Molmil
Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome
Descriptor: 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ...
Authors:Unverdorben, P, Beck, F, Sledz, P, Schweitzer, A, Pfeifer, G, Plitzko, J.M, Baumeister, W, Foerster, F.
Deposit date:2014-02-25
Release date:2014-04-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Deep Classification of a Large Cryo-Em Dataset Defines the Conformational Landscape of the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CR3
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BU of 4cr3 by Molmil
Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome
Descriptor: 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ...
Authors:Unverdorben, P, Beck, F, Sledz, P, Schweitzer, A, Pfeifer, G, Plitzko, J.M, Baumeister, W, Foerster, F.
Deposit date:2014-02-25
Release date:2014-04-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.3 Å)
Cite:Deep Classification of a Large Cryo-Em Dataset Defines the Conformational Landscape of the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 111, 2014
4D0Z
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BU of 4d0z by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset)
Descriptor: (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014

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