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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
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
6JZB
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BU of 6jzb by Molmil
Structural characterization of DnaJ from Streptococcus pneumonia presents a new tetramer of Hsp40 family
Descriptor: Chaperone protein DnaJ, ZINC ION
Authors:Zhu, M, Zhu, Z.L.
Deposit date:2019-04-30
Release date:2020-11-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Structural insights into the formation of oligomeric state by a type I Hsp40 chaperone.
Biochimie, 176, 2020
4L0K
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BU of 4l0k by Molmil
Crystal structure of a type II restriction endonuclease
Descriptor: DraIII
Authors:Zhuo, W, Ge, J, Yang, M.
Deposit date:2013-05-31
Release date:2014-05-14
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Elimination of inter-domain interactions increases the cleavage fidelity of the restriction endonuclease DraIII.
Protein Cell, 5, 2014
4LG8
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BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
Descriptor: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
8DSR
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BU of 8dsr by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362
Descriptor: (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X
Authors:Abendroth, J, Lorimer, D.D.
Deposit date:2022-07-22
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
3WCA
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BU of 3wca by Molmil
The complex structure of TcSQS with ligand, FSPP
Descriptor: Farnesyltransferase, putative, MAGNESIUM ION, ...
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2013-05-26
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WZL
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BU of 3wzl by Molmil
ZEN lactonase
Descriptor: Zearalenone hydrolase
Authors:Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T.
Deposit date:2014-10-01
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
RSC ADV, 4, 2014
3WZM
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BU of 3wzm by Molmil
ZEN lactonase mutant complex
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Zearalenone hydrolase
Authors:Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T.
Deposit date:2014-10-01
Release date:2014-11-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
RSC ADV, 4, 2014
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-06-26
Release date:2012-08-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
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
4H3J
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BU of 4h3j by Molmil
Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile
Descriptor: 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-10-17
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H3G
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BU of 4h3g by Molmil
Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
Descriptor: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4HA5
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BU of 4ha5 by Molmil
Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-25
Release date:2012-10-17
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
5ZM6
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BU of 5zm6 by Molmil
Crystal structure of ORP1-ORD in complex with PI(4,5)P2
Descriptor: ACETATE ION, Oxysterol-binding protein-related protein 1, [(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
Authors:Dong, J, Wang, J, Luo, Z, Wu, J.W.
Deposit date:2018-04-01
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
8IMY
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BU of 8imy by Molmil
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, T, Xu, Y, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
8IMX
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BU of 8imx by Molmil
Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, Y, Li, T, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
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
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

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