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5KF8
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BU of 5kf8 by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with glucosamine
Descriptor: 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
Authors:Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A.
Deposit date:2016-06-12
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
5FVJ
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BU of 5fvj by Molmil
Crystal structure of TacT (tRNA acetylating toxin) from Salmonella
Descriptor: ACETYL COENZYME *A, PUTATIVE ACETYLTRANSFERASE
Authors:Przydacz, M, Wong, C.T, Cheverton, A.M, Gollan, B, Mylona, A, Helaine, S, Hare, S.A.
Deposit date:2016-02-08
Release date:2016-06-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Salmonella Toxin Promotes Persister Formation Through Acetylation of tRNA.
Mol.Cell, 63, 2016
5EDI
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BU of 5edi by Molmil
human PDE10A, 6-Chloro-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine, 2.20A, H3, Rfree=23.5%
Descriptor: 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Rudolph, M.G.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5XRT
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BU of 5xrt by Molmil
Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Wilson, I.A.
Deposit date:2017-06-09
Release date:2018-07-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
5XRS
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BU of 5xrs by Molmil
Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin in complex with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
Authors:Zhang, H, Wilson, I.A.
Deposit date:2017-06-09
Release date:2018-07-25
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
3IO7
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BU of 3io7 by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-13
Release date:2009-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
6H0U
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BU of 6h0u by Molmil
Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor
Descriptor: (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ...
Authors:Marcovich, I, Demitri, N, De Zorzi, R, Storici, P.
Deposit date:2018-07-10
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
3IOK
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BU of 3iok by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-14
Release date:2009-11-10
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
6AOS
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BU of 6aos by Molmil
Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin L194P mutant in complex with 3'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-08-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural explanation for the low effectiveness of the seasonal influenza H3N2 vaccine.
PLoS Pathog., 13, 2017
6AOQ
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BU of 6aoq by Molmil
Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA2 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-08-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A structural explanation for the low effectiveness of the seasonal influenza H3N2 vaccine.
PLoS Pathog., 13, 2017
6AOU
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BU of 6aou by Molmil
Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin in complex with 3'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-08-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A structural explanation for the low effectiveness of the seasonal influenza H3N2 vaccine.
PLoS Pathog., 13, 2017
6AOV
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BU of 6aov by Molmil
Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin in complex with 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-08-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A structural explanation for the low effectiveness of the seasonal influenza H3N2 vaccine.
PLoS Pathog., 13, 2017
6AOR
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BU of 6aor by Molmil
Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA2 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-08-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural explanation for the low effectiveness of the seasonal influenza H3N2 vaccine.
PLoS Pathog., 13, 2017
6AOT
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BU of 6aot by Molmil
Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin L194P mutant in complex with 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-08-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A structural explanation for the low effectiveness of the seasonal influenza H3N2 vaccine.
PLoS Pathog., 13, 2017
5EGM
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BU of 5egm by Molmil
Development of a novel tricyclic class of potent and selective FIXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ...
Authors:Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B.
Deposit date:2015-10-27
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6F95
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BU of 6f95 by Molmil
AlfA from B. subtilis plasmid pLS32 filament structure at 3.4 A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AlfA, MAGNESIUM ION
Authors:Szewczak-Harris, A, Lowe, J.
Deposit date:2017-12-14
Release date:2018-04-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Cryo-EM reconstruction of AlfA fromBacillus subtilisreveals the structure of a simplified actin-like filament at 3.4- angstrom resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3KF7
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BU of 3kf7 by Molmil
Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound
Descriptor: 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Shieh, H.-S, Williams, J.M, Stegeman, R.A, Xing, L, Jerome, K.D.
Deposit date:2009-10-27
Release date:2009-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition.
Bioorg.Med.Chem.Lett., 20, 2010
6BKQ
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BU of 6bkq by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin E190D mutant in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6CCE
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BU of 6cce by Molmil
Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Kanglemycin A
Descriptor: 1,2-ETHANEDIOL, DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lilic, M, Darst, S.A, Campbell, E.A.
Deposit date:2018-02-07
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
6BKM
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BU of 6bkm by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin E190D mutant apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
7LL8
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BU of 7ll8 by Molmil
D-Protein RFX-V1 Bound to the VEGFR1 Domain 2 Site on VEGF-A
Descriptor: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V1
Authors:Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
Deposit date:2021-02-03
Release date:2021-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
7LL9
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BU of 7ll9 by Molmil
D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A
Descriptor: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2
Authors:Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
Deposit date:2021-02-03
Release date:2021-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
1CM0
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BU of 1cm0 by Molmil
CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX
Descriptor: COENZYME A, P300/CBP ASSOCIATING FACTOR
Authors:Clements, A, Rojas, J.R, Trievel, R.C, Wang, L, Berger, S.L, Marmorstein, R.
Deposit date:1999-05-12
Release date:1999-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the histone acetyltransferase domain of the human PCAF transcriptional regulator bound to coenzyme A.
EMBO J., 18, 1999
5UZ4
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BU of 5uz4 by Molmil
The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly
Descriptor: 16S RIBOSOMAL RNA, 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, 30S ribosomal protein S10, ...
Authors:Razi, A, Guarne, A, Ortega, J.
Deposit date:2017-02-24
Release date:2017-04-19
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014

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數據於2024-07-10公開中

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