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6EQM
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BU of 6eqm by Molmil
Crystal Structure of Human BACE-1 in Complex with CNP520
Descriptor: Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
Authors:Rondeau, J.-M, Wirth, E.
Deposit date:2017-10-13
Release date:2018-09-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
EMBO Mol Med, 10, 2018
6FGY
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BU of 6fgy by Molmil
Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4
Descriptor: Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
Authors:Rondeau, J.-M, Bourgier, E.
Deposit date:2018-01-11
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
7OT9
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BU of 7ot9 by Molmil
Structure of the AI-2 exporter family protein YdiK from E. coli
Descriptor: AI-2E member YdiK
Authors:Khera, R, Xie, H, Michel, H.
Deposit date:2021-06-09
Release date:2022-05-11
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of pentameric autoinducer-2 exporter from Escherichia coli reveal its transport mechanism.
Embo J., 41, 2022
7P4U
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BU of 7p4u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Descriptor: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-07-13
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
5G0R
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BU of 5g0r by Molmil
METHYL-COENZYME M REDUCTASE I FROM METHANOTHERMOBACTER MARBURGENSIS EXPOSED TO 3-NITROOXYPROPANOL
Descriptor: CHLORIDE ION, Coenzyme B, FACTOR 430, ...
Authors:Wagner, T.
Deposit date:2016-03-22
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mode of Action Uncovered for the Specific Reduction of Methane Emissions from Ruminants by the Small Molecule 3-Nitrooxypropanol.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FLY
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BU of 5fly by Molmil
The FhuD protein from S.pseudintermedius
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, CADMIUM ION, CHLORIDE ION, ...
Authors:Malito, E.
Deposit date:2015-10-29
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Crystal Structure of Fhud at 1.6 Angstrom Resolution: A Ferrichrome-Binding Protein from the Animal and Human Pathogen Staphylococcus Pseudintermedius
Acta Crystallogr.,Sect.F, 72, 2016
8EPN
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BU of 8epn by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 in the 3-RBD Down conformation
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:Williams, J.A, Harshbarger, W.
Deposit date:2022-10-06
Release date:2023-06-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
8EPQ
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BU of 8epq by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 with two RBDs exposed
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:Williams, J.A, Harshbarger, W.
Deposit date:2022-10-06
Release date:2023-06-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
8EPP
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BU of 8epp by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 with two RBDs in the open conformation
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:Williams, J.A, Harshbarger, W.
Deposit date:2022-10-06
Release date:2023-06-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
5CDZ
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BU of 5cdz by Molmil
Crystal structure of conserpin in the latent state
Descriptor: Conserpin in the latent state, GLYCEROL
Authors:Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
7TZB
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BU of 7tzb by Molmil
Crystal structure of the human mitochondrial seryl-tRNA synthetase (mt SerRS) bound with a seryl-adenylate analogue
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Serine--tRNA ligase, mitochondrial
Authors:Kuhle, B, Hirschi, M, Doerfel, L, Lander, G, Schimmel, P.
Deposit date:2022-02-15
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
7U2B
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BU of 7u2b by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA(GCU-TL)
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (53-MER), Serine--tRNA ligase, ...
Authors:Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
Deposit date:2022-02-23
Release date:2022-09-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
7U2A
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BU of 7u2a by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA (GCU)
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, RNA (38-MER), Serine--tRNA ligase, ...
Authors:Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
Deposit date:2022-02-23
Release date:2022-09-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for shape-selective recognition and aminoacylation of a D-armless human mitochondrial tRNA.
Nat Commun, 13, 2022
5CDX
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BU of 5cdx by Molmil
Crystal structure of conserpin
Descriptor: Conserpin
Authors:Porebski, B.T, Borg, N.A, McGowan, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
5BXZ
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BU of 5bxz by Molmil
H17 Bat Influenza NS1 RNA Binding Domain
Descriptor: Non-structural protein 1
Authors:Kerry, P.S, Hale, B.G.
Deposit date:2015-06-09
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel Bat Influenza Virus NS1 Proteins Bind Double-Stranded RNA and Antagonize Host Innate Immunity.
J.Virol., 89, 2015
5BY1
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BU of 5by1 by Molmil
H18 Bat Influenza NS1 RNA Binding Domain
Descriptor: DI(HYDROXYETHYL)ETHER, Non-structural protein 1, PENTAETHYLENE GLYCOL
Authors:Kerry, P.S, Hale, B.G.
Deposit date:2015-06-09
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Novel Bat Influenza Virus NS1 Proteins Bind Double-Stranded RNA and Antagonize Host Innate Immunity.
J.Virol., 89, 2015
4PI0
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BU of 4pi0 by Molmil
Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell) soaked in copper
Descriptor: COPPER (II) ION, Particulate methane monooxygenase subunit A, Particulate methane monooxygenase subunit B, ...
Authors:Sirajuddin, S, Rosenzweig, A.C.
Deposit date:2014-05-07
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Effects of zinc on particulate methane monooxygenase activity and structure.
J.Biol.Chem., 289, 2014
4PHZ
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BU of 4phz by Molmil
Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, COPPER (II) ION, Particulate methane monooxygenase subunit A, ...
Authors:Sirajuddin, S, Rosenzweig, A.C.
Deposit date:2014-05-07
Release date:2014-06-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Effects of zinc on particulate methane monooxygenase activity and structure.
J.Biol.Chem., 289, 2014
4PI2
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BU of 4pi2 by Molmil
Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell) soaked in zinc
Descriptor: CACODYLATE ION, COPPER (II) ION, Particulate methane monooxygenase subunit A, ...
Authors:Sirajuddin, S, Rosenzweig, A.C.
Deposit date:2014-05-07
Release date:2014-06-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Effects of zinc on particulate methane monooxygenase activity and structure.
J.Biol.Chem., 289, 2014
6CUJ
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BU of 6cuj by Molmil
Crystal structure of the C-terminal domain of neisserial heparin binding antigen (NHBA)
Descriptor: Gna2132
Authors:Malito, E, Spraggon, G.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Structures of NHBA elucidate a broadly conserved epitope identified by a vaccine induced antibody.
PLoS ONE, 13, 2018
4U9R
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BU of 4u9r by Molmil
Structure of the N-terminal Extension from Cupriavidus metallidurans CzcP
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, CADMIUM ION, CzcP cation efflux P1-ATPase
Authors:Smith, A.T, Rosenzweig, A.C.
Deposit date:2014-08-06
Release date:2015-07-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A new metal binding domain involved in cadmium, cobalt and zinc transport.
Nat.Chem.Biol., 11, 2015
7MEI
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BU of 7mei by Molmil
Composite structure of EC+EC
Descriptor: DNA (74-MER), DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Yang, C, Murakami, K.
Deposit date:2021-04-06
Release date:2022-03-02
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural visualization of de novo transcription initiation by Saccharomyces cerevisiae RNA polymerase II.
Mol.Cell, 82, 2022
7NEG
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BU of 7neg by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-02-04
Release date:2021-03-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
7NEH
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BU of 7neh by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-02-04
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
7NB6
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BU of 7nb6 by Molmil
Structure of the autoinducer-2 exporter TqsA from E. coli
Descriptor: AI-2 transport protein TqsA
Authors:Khera, R, Xie, H, Michel, H.
Deposit date:2021-01-25
Release date:2022-05-11
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of pentameric autoinducer-2 exporter from Escherichia coli reveal its transport mechanism.
Embo J., 41, 2022

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数据于2024-11-13公开中

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