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6UQW
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BU of 6uqw by Molmil
Crystal structure of ChoE in complex with acetate and thiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, ChoE, ...
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UR1
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BU of 6ur1 by Molmil
Crystal structure of ChoE S38A mutant in complex with acetate and acetylthiocholine
Descriptor: ACETATE ION, ACETYLTHIOCHOLINE, ChoE, ...
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQZ
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BU of 6uqz by Molmil
Crystal structure of ChoE D285N mutant in complex with acetate and thiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, ChoE
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQY
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BU of 6uqy by Molmil
Crystal structure of ChoE H288N mutant in complex with acetylthiocholine
Descriptor: ACETYLTHIOCHOLINE, ChoE, GLYCEROL
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UR0
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BU of 6ur0 by Molmil
Crystal structure of ChoE D285N mutant acyl-enzyme
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, GLYCEROL
Authors:Pham, V.D, Shi, R.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6VW4
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BU of 6vw4 by Molmil
2.35 Angstrom structure of Caci_6494 from Catenulispora Acidiphila in complex with S-DNPA
Descriptor: Aromatic-ring-hydroxylating dioxygenase beta subunit, [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2020-02-18
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Acta Crystallogr.,Sect.F, 76, 2020
5N1V
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BU of 5n1v by Molmil
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
6AGF
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BU of 6agf by Molmil
Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N.
Deposit date:2018-08-11
Release date:2018-10-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
4ZCJ
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BU of 4zcj by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin HA1 Cys30, HA2 Cys47 mutant
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:Lee, P.S, Wilson, I.A.
Deposit date:2015-04-16
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and Structure of an Engineered Disulfide-Stabilized Influenza Virus Hemagglutinin Trimer.
J.Virol., 89, 2015
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Authors:Lee, C.C, Spraggon, G.
Deposit date:2015-04-02
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5BKA
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BU of 5bka by Molmil
2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor
Descriptor: Hydroxylacyl-CoA dehydrogenase
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2019-06-02
Release date:2020-06-03
Last modified:2020-09-02
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Acta Crystallogr.,Sect.F, 76, 2020
8DGU
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BU of 8dgu by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC25.106 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC25.106 Fab heavy chain, Antibody CC25.106 Fab light chain, GLYCEROL, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGW
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BU of 8dgw by Molmil
Crystal structure of HCoV-HKU1 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC95.108 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC95.108 Fab heavy chain, Antibody CC95.108 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGX
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BU of 8dgx by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC68.109 Fab heavy chain, Antibody CC68.109 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGV
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BU of 8dgv by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC99.103 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC99.103 Fab heavy chain, Antibody CC99.103 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DT8
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BU of 8dt8 by Molmil
LM18/Nb136 bispecific tetra-nanobody immunoglobulin in complex with SARS-CoV-2-6P-Mut7 S protein (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LM18 nanobody, Nb136 nanobody, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2022-07-25
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELO
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BU of 8elo by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELP
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BU of 8elp by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELQ
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BU of 8elq by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8E6K
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BU of 8e6k by Molmil
2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ...
Authors:Turner, H.L, Ozorowski, G, Ward, A.B.
Deposit date:2022-08-22
Release date:2023-08-09
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8E6J
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BU of 8e6j by Molmil
3H03 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
Descriptor: 3H03 fragment antigen binding heavy chain, 3H03 fragment antigen binding light chain, Neuraminidase
Authors:Turner, H.L, Ozorowski, G, Ward, A.B.
Deposit date:2022-08-22
Release date:2023-08-09
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8FF2
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BU of 8ff2 by Molmil
Amyloid-beta (1-40) fibrils derived from a CAA patient
Descriptor: Amyloid-beta precursor protein
Authors:Crooks, E.J, Fu, Z, Chowdhury, S, Smith, S.O.
Deposit date:2022-12-07
Release date:2023-12-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:An electrostatic cluster guides A beta 40 fibril formation in sporadic and Dutch-type cerebral amyloid angiopathy.
J.Struct.Biol., 216, 2024
8FF3
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BU of 8ff3 by Molmil
Amyloid-beta (1-40) fibrils derived from familial Dutch-type CAA patient (population B)
Descriptor: Amyloid-beta precursor protein
Authors:Crooks, E.J, Fu, Z, Chowdury, S, Smith, S.O.
Deposit date:2022-12-07
Release date:2023-12-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:An electrostatic cluster guides A beta 40 fibril formation in sporadic and Dutch-type cerebral amyloid angiopathy.
J.Struct.Biol., 216, 2024
8GB7
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BU of 8gb7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, 20A7 Light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023

219869

數據於2024-05-15公開中

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