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8K9P
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BU of 8k9p by Molmil
Neutron X-ray joint structure of pseudoazurin from Alcaligenes faecalis
Descriptor: COPPER (II) ION, Pseudoazurin, SULFATE ION
Authors:Fukuda, Y, Kurihara, K, Inoue, T, Tamada, T.
Deposit date:2023-08-01
Release date:2024-02-14
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Overlooked Hydrogen Bond in a Blue Copper Protein Uncovered by Neutron and Sub- angstrom ngstrom Resolution X-ray Crystallography.
Biochemistry, 63, 2024
8K7Y
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BU of 8k7y by Molmil
Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1051), ligand-free form
Descriptor: ZINC ION, beta1,3-L-arabinofuranoside
Authors:Maruyama, S, Pan, L, Miyake, M, Fujita, K, Fushinobu, S.
Deposit date:2023-07-27
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans.
Appl.Microbiol.Biotechnol., 108, 2024
5FWX
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BU of 5fwx by Molmil
Crystal structure of the AMPA receptor GluA2/A4 N-terminal domain heterodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMATE RECEPTOR 2, GLUTAMATE RECEPTOR 4, ...
Authors:Garcia-Nafria, J, Herguedas, B, Greger, I.H.
Deposit date:2016-02-21
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Organization of Heteromeric Ampa-Type Glutamate Receptors.
Science, 352, 2016
5CKQ
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BU of 5ckq by Molmil
CUB1-EGF-CUB2 domains of rat MASP-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine protease 1, ...
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.704 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
7M1R
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BU of 7m1r by Molmil
Crystal structure of a 6-phospho-beta-galactosidase from Bacillus licheniformis
Descriptor: 1,2-ETHANEDIOL, 6-phospho-beta-galactosidase
Authors:Liberato, M.V, Popov, A, Polikarpov, I.
Deposit date:2021-03-14
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6P beta-Glucosidase/6P beta-Galactosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis .
J.Chem.Inf.Model., 61, 2021
8TDA
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BU of 8tda by Molmil
Structure of Bacteroides thetaiotaomicron 3-Keto-2-hydroxy-glucal-hydratase BT2
Descriptor: POTASSIUM ION, Probable secreted glycosyl hydrolase
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
7ORV
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BU of 7orv by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
5CLW
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BU of 5clw by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
Descriptor: 1,4-alpha-glucan-branching enzyme, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
To be published
7ORR
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BU of 7orr by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7MPS
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BU of 7mps by Molmil
Brucella melitensis NrnC with engaged loop
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NanoRNase C, SULFATE ION
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2021-05-04
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
7YCK
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BU of 7yck by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ...
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7M63
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BU of 7m63 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
Descriptor: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1
Authors:Leonard, P.G, Cross, J.B.
Deposit date:2021-03-25
Release date:2021-09-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
8TDE
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BU of 8tde by Molmil
Structure of glucose bound Bacteroides thetaiotaomicron 3-Keto-2-hydroxy-glucal-hydratase BT2
Descriptor: POTASSIUM ION, Probable secreted glycosyl hydrolase, alpha-D-glucopyranose
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
5C6B
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BU of 5c6b by Molmil
Crystal Structure of Prefusion-stabilized RSV F variant SC-TM
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Fusion glycoprotein F0,Fibritin, ...
Authors:McLellan, J.S, Langedijk, J.P.M.
Deposit date:2015-06-22
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A highly stable prefusion RSV F vaccine derived from structural analysis of the fusion mechanism.
Nat Commun, 6, 2015
8KDX
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BU of 8kdx by Molmil
Tau-S214 Phosphorylation Inhibits Fyn Kinase Interaction and Increases the Decay Time of NMDAR-mediated Current
Descriptor: Microtubule-associated protein tau, Tyrosine-protein kinase Fyn
Authors:Padavattan, S, Jos, S.
Deposit date:2023-08-10
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Tau-S214 Phosphorylation Inhibits Fyn Kinase Interaction and Increases the Decay Time of NMDAR-mediated Current.
J.Mol.Biol., 436, 2024
7YCL
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BU of 7ycl by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7M5U
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BU of 7m5u by Molmil
Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246
Descriptor: M-phase phosphoprotein 8, UNC5246
Authors:Budziszewski, G.R, McGinty, R.K, Waybright, J.M, Norris, J.L, James, L.I.
Deposit date:2021-03-24
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A Peptidomimetic Ligand Targeting the Chromodomain of MPP8 Reveals HRP2's Association with the HUSH Complex.
Acs Chem.Biol., 16, 2021
8TYX
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BU of 8tyx by Molmil
Structure of a bacterial Ubl-deubiquitinase complex (form 1)
Descriptor: DUB(BilC) E33A Mutant, Ubl(BilA), ZINC ION
Authors:Ye, Q, Gong, M, Corbett, K.D.
Deposit date:2023-08-26
Release date:2024-06-12
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A eukaryotic-like ubiquitination system in bacterial antiviral defence.
Nature, 631, 2024
8QCJ
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BU of 8qcj by Molmil
Crystal structure of mycothiol disulfide reductase Mtr from Rhodococcus erythropolis
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Mycothione reductase
Authors:Gutierrez-Fernandez, J, Hammerstad, M, Hersleth, H.-P.
Deposit date:2023-08-27
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria.
Acta Crystallogr D Struct Biol, 80, 2024
5T7T
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BU of 5t7t by Molmil
Galectin-8 N terminal domain in complex with LNT
Descriptor: CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bohari, M.H, Yu, X, Blanchard, H.
Deposit date:2016-09-05
Release date:2017-01-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5C6Q
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BU of 5c6q by Molmil
Crystal structure of the apo TOPLESS related protein 2 (TPR2) N-terminal domain (1-209) from rice
Descriptor: ASPR2 protein, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-06-23
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
6MC6
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BU of 6mc6 by Molmil
Crystal structure of PprA filament from Deinococcus radiodurans
Descriptor: DNA repair protein PprA
Authors:Szabla, R, Junop, M.S, Wood, K.
Deposit date:2018-08-30
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:Crystal structure of PprA from Deinococcus radiodurans
To Be Published
7P76
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BU of 7p76 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde
Descriptor: (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
Deposit date:2021-07-19
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
7OJS
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BU of 7ojs by Molmil
Complex structure 2 of the Bacillus subtilis CdaA c-di-AMP cyclase domain (CdaACD) and the phosphoglucomutase GlmM short variant (GlmMF369)
Descriptor: Cyclic di-AMP synthase CdaA, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
6M96
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BU of 6m96 by Molmil
ATP-bound conformation of the WzmWzt O antigen ABC transporter
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ABC transporter, ...
Authors:Caffalette, C.A, Zimmer, J.
Deposit date:2018-08-22
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A lipid gating mechanism for the channel-forming O antigen ABC transporter.
Nat Commun, 10, 2019

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