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8SYE
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BU of 8sye by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 6
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ...
Authors:Jast, J.D.T, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
8SYH
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BU of 8syh by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 8
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ...
Authors:Jast, J.D.T, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
7LKF
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BU of 7lkf by Molmil
WT Chicken Scap L1-L7 / Fab 4G10 complex focused refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4G10 heavy chain, 4G10 light chain, ...
Authors:Kober, D.L, Radhakrishnan, A, Goldstein, J.L, Brown, M.S, Clark, L.D, Bai, X.-C, Rosenbaum, D.M.
Deposit date:2021-02-02
Release date:2021-06-30
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Scap structures highlight key role for rotation of intertwined luminal loops in cholesterol sensing.
Cell, 184, 2021
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
5KKE
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BU of 5kke by Molmil
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with CYMAL5
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CHLORIDE ION, Cytochrome c iso-1, ...
Authors:Bowler, B.E, Whitby, F.G.
Deposit date:2016-06-21
Release date:2017-03-22
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-03-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
6QNI
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BU of 6qni by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 1.0 s timepoint
Descriptor: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
Authors:Mehrabi, P, Schulz, E.C, Miller, R.J.D.
Deposit date:2019-02-11
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
5K9C
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BU of 5k9c by Molmil
Crystal structure of human dihydroorotate dehydrogenase with ML390
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ...
Authors:Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
Deposit date:2016-05-31
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
7MJJ
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BU of 7mjj by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ...
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
4ZEB
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BU of 4zeb by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
Descriptor: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
7MJH
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BU of 7mjh by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MMO
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BU of 7mmo by Molmil
LY-CoV1404 neutralizing antibody against SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
7RZB
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BU of 7rzb by Molmil
BrxA from Staphylococcus aureus with bacillithiol mixed disulfide
Descriptor: (2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid, Bacillithiol system oxidoreductase, YphP/YqiW family, ...
Authors:Cook, P.D, McHugh, C.S.
Deposit date:2021-08-27
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of BrxA from Staphylococcus aureus, a bacilliredoxin involved in redox homeostasis in Firmicutes.
Acta Crystallogr.,Sect.F, 78, 2022
4TS0
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BU of 4ts0 by Molmil
Crystal structure of the Spinach RNA aptamer in complex with DFHBI, barium ions
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, BARIUM ION, POTASSIUM ION, ...
Authors:Warner, K.D, Chen, M.C, Song, W, Strack, R.L, Thorn, A, Jaffrey, S.R, Ferre-D'Amare, A.R.
Deposit date:2014-06-18
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for activity of highly efficient RNA mimics of green fluorescent protein.
Nat.Struct.Mol.Biol., 21, 2014
7ZBC
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BU of 7zbc by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
6S20
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BU of 6s20 by Molmil
Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33336S-sulf)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, CALCIUM ION, N-acetylgalactosamine-6-O-sulfatase, ...
Authors:Ndeh, D, Basle, A, Strahl, H, Henrissat, B, Terrapon, N, Cartmell, A.
Deposit date:2019-06-19
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Nat Commun, 11, 2020
4RKR
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BU of 4rkr by Molmil
Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007, complex with lactose
Descriptor: Transcriptional regulator, LacI family, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-10-13
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R
To be Published
6RND
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BU of 6rnd by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 15 ms timepoint
Descriptor: MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Mehrabi, P, Schulz, E.C, Miller, R.J.D.
Deposit date:2019-05-08
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
7JVC
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BU of 7jvc by Molmil
SARS-CoV-2 spike in complex with the S2A4 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2A4 Fab heavy chain, ...
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-20
Release date:2020-10-14
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
8TVE
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BU of 8tve by Molmil
Langya henipavirus fusion protein in postfusion state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Langya henipavirus fusion protein in postfusion state
Authors:Wang, Z, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-08-18
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and design of Langya virus glycoprotein antigens.
Proc.Natl.Acad.Sci.USA, 121, 2024
6TSQ
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BU of 6tsq by Molmil
Marasmius oreades agglutinin (MOA) activated by manganese (II)
Descriptor: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
Authors:Cordara, G, Manna, D, Krengel, U.
Deposit date:2019-12-21
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
3I2T
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BU of 3i2t by Molmil
Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Alvarado, D, Klein, D.E, Lemmon, M.A.
Deposit date:2009-06-29
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor.
Nature, 461, 2009
6TM0
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BU of 6tm0 by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL
Descriptor: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
Deposit date:2019-12-03
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
7N0G
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BU of 7n0g by Molmil
CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Jiang, J, Huang, R, Margulies, D.
Deposit date:2021-05-25
Release date:2021-06-02
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021

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