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5GTB
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BU of 5gtb by Molmil
crystal structure of intermembrane space region of the ARC6-PDV2 complex
Descriptor: Plastid division protein PDV2, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Wang, W.
Deposit date:2016-08-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.871 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
5HCU
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BU of 5hcu by Molmil
Crystal structure of mouse acetylchoinesterase inhibited by DFP
Descriptor: Acetylcholinesterase
Authors:Tran, T.H, Tong, L.
Deposit date:2016-01-04
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4151 Å)
Cite:Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates.
Chembiochem, 16, 2015
5HE7
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BU of 5he7 by Molmil
BACE-1 in complex with (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
Descriptor: (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDZ
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BU of 5hdz by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylthio)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
Descriptor: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HD0
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BU of 5hd0 by Molmil
BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
Descriptor: 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P.
Deposit date:2016-01-04
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDU
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BU of 5hdu by Molmil
BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
Descriptor: 3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDV
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BU of 5hdv by Molmil
BACE-1 incomplex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
Descriptor: 5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HAD
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BU of 5had by Molmil
Crystal structure of intermembrane space region of chloroplast protein ARC6
Descriptor: 1,2-ETHANEDIOL, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Yu, X.
Deposit date:2015-12-30
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
4NRY
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BU of 4nry by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody m66
Descriptor: m66 Heavy Chain, m66 Light Chain
Authors:Ofek, G, Yang, Y, Kwong, P.D.
Deposit date:2013-11-27
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structural Basis for HIV-1 Neutralization by 2F5-Like Antibodies m66 and m66.6.
J.Virol., 88, 2014
8ZQ3
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BU of 8zq3 by Molmil
Structure of ORP1L-RAB7A in the presence of GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a
Authors:Lu, Q, Zhang, J, Xu, C.
Deposit date:2024-05-31
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure of GDP-bound Rab7 Q67L in complex with ORP1L.
Biochem.Biophys.Res.Commun., 725, 2024
8YT5
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BU of 8yt5 by Molmil
SP1746 treated with EDTA, in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical)
Authors:Jin, Y, Niu, L, Ke, J.
Deposit date:2024-03-25
Release date:2024-05-08
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
8Y33
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BU of 8y33 by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
Authors:Hu, X, Xu, Y.
Deposit date:2024-01-28
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
6CMG
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BU of 6cmg by Molmil
Crystal Structure of the Hendra Virus Attachment G Glycoprotein Bound to a Potent Cross-Reactive Neutralizing Human Monoclonal Antibody m102.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G, ...
Authors:Xu, K, Nikolov, D.
Deposit date:2018-03-05
Release date:2018-04-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing human monoclonal antibody.
PLoS Pathog., 9, 2013
6CMI
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BU of 6cmi by Molmil
Crystal Structure of the Hendra Virus Attachment G Glycoprotein Bound to a Potent Cross-Reactive Neutralizing Human Monoclonal Antibody m102.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G, ...
Authors:Xu, K, Nikolov, D.
Deposit date:2018-03-05
Release date:2018-04-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of the Hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing human monoclonal antibody.
PLoS Pathog., 9, 2013
7F1E
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BU of 7f1e by Molmil
Structure of METTL6 bound with SAM
Descriptor: S-ADENOSYLMETHIONINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Li, S, Liao, S, Xu, C.
Deposit date:2021-06-09
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.589 Å)
Cite:Structural basis for METTL6-mediated m3C RNA methylation.
Biochem.Biophys.Res.Commun., 589, 2021
7F0I
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BU of 7f0i by Molmil
phosphodiesterase-9A in complex with inhibitor 4b
Descriptor: 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y, Huang, Y.Y, Luo, H.B.
Deposit date:2021-06-04
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.70000887 Å)
Cite:Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
7FAW
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BU of 7faw by Molmil
Structure of LW domain from Yeast
Descriptor: Transcription elongation factor S-II
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
7FAX
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BU of 7fax by Molmil
Complex structure of TbLeo1 and LW domain from Trypanosoma brucei
Descriptor: TbLW, TbLeo1 peptide
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
7JL3
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BU of 7jl3 by Molmil
Cryo-EM structure of RIG-I:dsRNA filament in complex with RIPLET PrySpry domain (trimer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, E3 ubiquitin-protein ligase RNF135, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7JL4
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BU of 7jl4 by Molmil
Crystal structure of TRIM65 PSpry domain
Descriptor: GLYCEROL, Tripartite motif-containing protein 65
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7JL0
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BU of 7jl0 by Molmil
Cryo-EM structure of MDA5-dsRNA in complex with TRIM65 PSpry domain (Monomer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7JL1
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BU of 7jl1 by Molmil
Cryo-EM structure of RIG-I:dsRNA in complex with RIPLET PrySpry domain (monomer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, E3 ubiquitin-protein ligase RNF135, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7JL2
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BU of 7jl2 by Molmil
Cryo-EM structure of MDA5-dsRNA filament in complex with TRIM65 PSpry domain (Trimer)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
Authors:Kato, K, Ahmad, S, Hur, S.
Deposit date:2020-07-29
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7SZQ
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BU of 7szq by Molmil
Human P300 complexed with an azaindazole inhibitor
Descriptor: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-29
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SSK
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BU of 7ssk by Molmil
Human P300 complexed with a glycine-based inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ...
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022

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数据于2024-10-16公开中

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