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6O2W
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BU of 6o2w by Molmil
Crystal structure of the SARAF luminal domain Cys-lock mutant dimer
Descriptor: GLYCEROL, Store-operated calcium entry-associated regulatory factor
Authors:Kimberlin, C.R, Minor, D.L.
Deposit date:2019-02-24
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
6HKU
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BU of 6hku by Molmil
Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with sialylated precision glycooligomers
Descriptor: Capsid protein VP1, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
Authors:Rustmeier, N.H, Stehle, T.
Deposit date:2018-09-08
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Divalent Sialylated Precision Glycooligomers Binding to Polyomaviruses and the Effect of Different Linkers.
Macromol Biosci, 19, 2019
8SIC
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BU of 8sic by Molmil
Crystal structure of Epstein-Barr virus glycoprotein 350 (gp350) in complex with Cy137C02, a monoclonal antibody isolated from macaques immunized with a gp350 nanoparticle vaccine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cy137C02 Fab heavy chain, Cy137C02 Fab light chain, ...
Authors:Joyce, M.G, Jensen, J.L, Chen, W.H, Kanekiyo, M.
Deposit date:2023-04-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Crystal structure of Epstein-Barr virus glycoprotein 350 (gp350) in complex with Cy137C02, a monoclonal antibody isolated from macaques immunized with a gp350 nanoparticle vaccine
To Be Published
6EJ7
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BU of 6ej7 by Molmil
Human Xylosyltransferase 1 in complex with UDP-xylose and peptide QEEEGAGGGQGG
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
6NVT
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BU of 6nvt by Molmil
Crystal structure of TLA-1 extended spectrum Beta-lactamase
Descriptor: ACETATE ION, Beta-lactamase, CHLORIDE ION, ...
Authors:Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C.
Deposit date:2019-02-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
8JVA
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BU of 8jva by Molmil
Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ...
Authors:Liu, B, Liu, H.H, Han, P, Qi, J.X.
Deposit date:2023-06-28
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain.
Signal Transduct Target Ther, 9, 2024
6NYW
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BU of 6nyw by Molmil
Structure of spastin AAA domain N527C mutant in complex with 8-fluoroquinazoline-based inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine, ...
Authors:Pisa, R, Cupido, T, Kapoor, T.M.
Deposit date:2019-02-12
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Designing Allele-Specific Inhibitors of Spastin, a Microtubule-Severing AAA Protein.
J. Am. Chem. Soc., 141, 2019
6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
Descriptor: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NW5
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BU of 6nw5 by Molmil
Crystal structure of TmPep1050 aminopeptidase with its metal cofactors
Descriptor: Aminopeptidase, COBALT (II) ION, HYDROXIDE ION, ...
Authors:Dutoit, R.
Deposit date:2019-02-06
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:How metal cofactors drive dimer-dodecamer transition of the M42 aminopeptidase TmPep1050 ofThermotoga maritima.
J.Biol.Chem., 294, 2019
8K5O
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BU of 8k5o by Molmil
Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ...
Authors:Wang, G.-L, Qi, C.-H, Yu, L.-J.
Deposit date:2023-07-22
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
J Integr Plant Biol, 2024
5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.387 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
6NZF
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BU of 6nzf by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
Descriptor: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6YSX
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BU of 6ysx by Molmil
Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-04-23
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80)
To be published
6YWA
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BU of 6ywa by Molmil
Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
Descriptor: 3',3'-c-[2'FdAMP-2'FdAM(PS)], GLYCEROL, Stimulator of interferon genes protein
Authors:Boura, E, Smola, M.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Human REF STING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
6YWB
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BU of 6ywb by Molmil
Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
Descriptor: 3',3'-c-[2'FdAMP-2'FdAM(PS)], Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
6NXS
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BU of 6nxs by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218Y mutant
Descriptor: SODIUM ION, Triosephosphate isomerase, cytosolic
Authors:Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
Deposit date:2019-02-09
Release date:2020-02-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
6YSJ
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BU of 6ysj by Molmil
Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A.
Deposit date:2020-04-22
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
To be published
6NZE
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BU of 6nze by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
Descriptor: 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
8S7C
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BU of 8s7c by Molmil
Ternary Complex of Cachd1, FZD5 and LRP6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-5, ...
Authors:Zhao, Y, Ren, J, Jones, E.Y.
Deposit date:2024-02-29
Release date:2024-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain.
Science, 384, 2024
6Z0Z
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BU of 6z0z by Molmil
Human wtSTING in complex with 3',3'-c-(2'FdAMP-2'FdAMP)
Descriptor: 2'-fluoro-,3',3'-c-di-AMP, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-05-11
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6O0N
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BU of 6o0n by Molmil
M.tb MenD with Inhibitor
Descriptor: 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase
Authors:Johnston, J.M, Ho, N.A.T, Bashiri, G, Bulloch, E.M, Nigon, L.V, Jirgis, E.M.N, Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
8S0L
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BU of 8s0l by Molmil
Crystal structure of the TMPRSS2 zymogen in complex with the nanobody A07
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Nanobody A07, ...
Authors:Duquerroy, S, Fernandez, I, Rey, F.
Deposit date:2024-02-14
Release date:2024-06-26
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of TMPRSS2 zymogen activation and recognition by the HKU1 seasonal coronavirus.
Cell, 187, 2024
6O2V
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BU of 6o2v by Molmil
Crystal structure of the SARAF luminal domain Cys-lock mutant monomer
Descriptor: FORMIC ACID, GLYCEROL, Store-operated calcium entry-associated regulatory factor
Authors:Kimberlin, C.R, Minor, D.L.
Deposit date:2019-02-24
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
7R85
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BU of 7r85 by Molmil
Structure of mouse Bai1 (ADGRB1) TSR3 domain
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021

225399

数据于2024-09-25公开中

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