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4N43
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BU of 4n43 by Molmil
Human enterovirus 71 uncoating intermediate captured at atomic resolution
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Chen, R, Lyu, K.
Deposit date:2013-10-08
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8011 Å)
Cite:Human enterovirus 71 uncoating captured at atomic resolution.
J.Virol., 88, 2014
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
Descriptor: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Tan, Y, Yang, G.
Deposit date:2018-04-13
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
4CYW
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BU of 4cyw by Molmil
Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin in complex with human receptor analog 6-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Martin, S.R, Haire, L.F, McCauley, J.W, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-04-15
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Receptor Binding by H10 Influenza Viruses.
Nature, 511, 2014
4CYV
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BU of 4cyv by Molmil
Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Martin, S.R, Haire, L.F, McCauley, J.W, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-04-15
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Receptor Binding by H10 Influenza Viruses.
Nature, 511, 2014
4CYZ
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BU of 4cyz by Molmil
Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin in complex with avian receptor analog LSTA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Martin, S.R, Haire, L.F, McCauley, J.W, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-04-16
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Receptor Binding by H10 Influenza Viruses.
Nature, 511, 2014
4CZ0
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BU of 4cz0 by Molmil
Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin in complex with avian receptor analog Su-3SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Martin, S.R, Haire, L.F, McCauley, J.W, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-04-16
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Receptor Binding by H10 Influenza Viruses.
Nature, 511, 2014
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
Descriptor: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-08-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
4D3H
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BU of 4d3h by Molmil
Structure of PstA
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, PSTA
Authors:Campeotto, I, Freemont, P, Grundling, A.
Deposit date:2014-10-22
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complex Structure and Biochemical Characterization of the Staphylococcus Aureus Cyclic Di-AMP Binding Protein Psta, the Founding Member of a New Signal Transduction Protein Family
J.Biol.Chem., 290, 2015
4BHK
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BU of 4bhk by Molmil
Crystal Structure of Moss Leafy bound to DNA
Descriptor: FLORICAULA/LEAFY HOMOLOG 1, MOSS-CR54 DNA
Authors:Nanao, M.H, Sayou, C, Dumas, R, Parcy, F.
Deposit date:2013-04-03
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A Promiscuous Intermediate Underlies the Evolution of Leafy DNA Binding Specificity.
Science, 343, 2014
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4D3G
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BU of 4d3g by Molmil
Structure of PstA
Descriptor: PSTA
Authors:Campeotto, I, Freemont, P, Grundling, A.
Deposit date:2014-10-22
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Complex Structure and Biochemical Characterization of the Staphylococcus Aureus Cyclic Di-AMP Binding Protein Psta, the Founding Member of a New Signal Transduction Protein Family
J.Biol.Chem., 290, 2015
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
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:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
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:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
4DI1
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BU of 4di1 by Molmil
Crystal structure of enoyl-CoA hydratase EchA17 from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase EchA17
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-01-30
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4DXL
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BU of 4dxl by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abscessus, bound to CMP and ATP
Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-27
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4DQ8
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BU of 4dq8 by Molmil
Crystal structure of acetate kinase AckA from Mycobacterium marinum
Descriptor: Acetate kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-15
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4N53
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BU of 4n53 by Molmil
Human enterovirus 71 uncoating intermediate captured at atomic resolution
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Chen, R, Lyu, K.
Deposit date:2013-10-09
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3063 Å)
Cite:Human enterovirus 71 uncoating captured at atomic resolution.
J.Virol., 88, 2014
4Q9S
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BU of 4q9s by Molmil
Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-01
Release date:2014-07-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
4Q9Z
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BU of 4q9z by Molmil
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-02
Release date:2014-07-02
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
4DIE
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BU of 4die by Molmil
Crystal structure of a cytidylate kinase CmK from Mycobacterium abscessus bound to cytidine-5'-monophosphate
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-01-30
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TZU
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BU of 3tzu by Molmil
Crystal structure of a glycine cleavage system H protein (GCVH) from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-27
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TX2
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BU of 3tx2 by Molmil
Structure of a Probable 6-phosphogluconolactonase from Mycobacterium abscessus
Descriptor: BENZOIC ACID, GLYCEROL, Probable 6-phosphogluconolactonase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-22
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7L8P
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BU of 7l8p by Molmil
Integrin alphaIIbbeta3 in complex with sibrafiban
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Springer, T.A.
Deposit date:2020-12-31
Release date:2022-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34995365 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
3TRR
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BU of 3trr by Molmil
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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数据于2024-10-09公开中

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