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7WZO
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BU of 7wzo by Molmil
Crystal structure of the SARS-CoV-2 nucleocapsid protein N-terminal domain in complex with Ubl1
Descriptor: Nucleoprotein, nsp3
Authors:Ni, X.C, Zhou, R.J, Lei, J.
Deposit date:2022-02-18
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
7Y5X
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BU of 7y5x by Molmil
CryoEM structure of PS2-containing gamma-secretase treated with MRK-560
Descriptor: 1,2-DIACYL-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:Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2022-06-17
Release date:2022-11-02
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
7Y5T
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BU of 7y5t by Molmil
CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560
Descriptor: 1,2-DIACYL-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:Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2022-06-17
Release date:2022-11-02
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
7Y5Z
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BU of 7y5z by Molmil
CryoEM structure of human PS2-containing gamma-secretase
Descriptor: 1,2-DIACYL-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:Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
6J8J
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BU of 6j8j by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down)
Descriptor: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shen, H, Liu, D, Lei, J, Yan, N.
Deposit date:2019-01-19
Release date:2019-02-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6KG7
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BU of 6kg7 by Molmil
Cryo-EM Structure of the Mammalian Tactile Channel Piezo2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2
Authors:Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B.
Deposit date:2019-07-11
Release date:2019-09-04
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and mechanogating of the mammalian tactile channel PIEZO2.
Nature, 573, 2019
6LGK
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BU of 6lgk by Molmil
Crystal structure of an oxido-reductase with mutation
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Yang, Y, Lei, J, Yin, L.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an oxido-reductase with mutation
To Be Published
6LGJ
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BU of 6lgj by Molmil
Crystal structure of an oxido-reductase
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yang, Y, Lei, J, Yin, L.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an oxido-reductase
To be published
6LGM
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BU of 6lgm by Molmil
Crystal structure of an oxido-reductase with mutation and inhibitor
Descriptor: Dimethyl fumarate, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yang, Y, Lei, J, Yin, L.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an oxido-reductase with mutation and inhibitor
To Be Published
6LQG
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BU of 6lqg by Molmil
Human gamma-secretase in complex with small molecule Avagacestat
Descriptor: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-13
Release date:2021-01-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LR4
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BU of 6lr4 by Molmil
Molecular basis for inhibition of human gamma-secretase by small molecule
Descriptor: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LYY
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BU of 6lyy by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate AZD3965 in the outward-open conformation.
Descriptor: 3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione, Basigin, Monocarboxylate transporter 1
Authors:Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
Deposit date:2020-02-16
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
6LZ0
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BU of 6lz0 by Molmil
Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1
Authors:Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
Deposit date:2020-02-16
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
6J6N
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BU of 6j6n by Molmil
Cryo-EM structure of the yeast B*-b1 complex at an average resolution of 3.86 angstrom
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Wan, R, Bai, R, Yan, C, Lei, J, Shi, Y.
Deposit date:2019-01-15
Release date:2019-04-24
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structures of the Catalytically Activated Yeast Spliceosome Reveal the Mechanism of Branching.
Cell, 177, 2019
6J8H
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BU of 6j8h by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ...
Authors:Shen, H, Liu, D, Lei, J, Yan, N.
Deposit date:2019-01-19
Release date:2019-02-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J6Q
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BU of 6j6q by Molmil
Cryo-EM structure of the yeast B*-b2 complex at an average resolution of 3.7 angstrom
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Wan, R, Bai, R, Yan, C, Lei, J, Shi, Y.
Deposit date:2019-01-15
Release date:2019-04-24
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of the Catalytically Activated Yeast Spliceosome Reveal the Mechanism of Branching.
Cell, 177, 2019
6J6H
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BU of 6j6h by Molmil
Cryo-EM structure of the yeast B*-a1 complex at an average resolution of 3.6 angstrom
Descriptor: ACT1 pre-mRNA, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Wan, R, Bai, R, Yan, C, Lei, J, Shi, Y.
Deposit date:2019-01-15
Release date:2019-04-24
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of the Catalytically Activated Yeast Spliceosome Reveal the Mechanism of Branching.
Cell, 177, 2019
4CKU
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BU of 4cku by Molmil
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
Descriptor: 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2
Authors:Tars, K, Leitans, J, Jaudzems, K.
Deposit date:2014-01-08
Release date:2014-06-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014
1BAI
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BU of 1bai by Molmil
Crystal structure of Rous sarcoma virus protease in complex with inhibitor
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE
Authors:Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T.
Deposit date:1998-04-17
Release date:1999-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1A94
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BU of 1a94 by Molmil
STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE
Authors:Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T.
Deposit date:1998-04-16
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1DMS
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BU of 1dms by Molmil
STRUCTURE OF DMSO REDUCTASE
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM (IV)OXIDE
Authors:Schneider, F, Loewe, J, Huber, R, Schindelin, H, Kisker, C, Knaeblein, J.
Deposit date:1996-09-03
Release date:1998-07-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of dimethyl sulfoxide reductase from Rhodobacter capsulatus at 1.88 A resolution.
J.Mol.Biol., 263, 1996
5VKG
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BU of 5vkg by Molmil
Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole
Descriptor: 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein
Authors:Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C.
Deposit date:2017-04-21
Release date:2017-11-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Tsg101 chaperone function revealed by HIV-1 assembly inhibitors.
Nat Commun, 8, 2017
7PZJ
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BU of 7pzj by Molmil
Structure of a bacteroidetal polyethylene terephthalate (PET) esterase
Descriptor: Lipase, POTASSIUM ION
Authors:Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R.
Deposit date:2021-10-12
Release date:2022-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity.
Front Microbiol, 12, 2021
1H70
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BU of 1h70 by Molmil
DDAH FROM PSEUDOMONAS AERUGINOSA. C249S MUTANT COMPLEXED WITH CITRULLINE
Descriptor: CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE
Authors:Murray-Rust, J, Leiper, J, McAlister, M, Phelan, J, Tilley, S, Santamaria, J, Vallance, P, McDonald, N.
Deposit date:2001-06-30
Release date:2001-08-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the hydrolysis of cellular nitric oxide synthase inhibitors by dimethylarginine dimethylaminohydrolase.
Nat. Struct. Biol., 8, 2001
4BGK
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BU of 4bgk by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate
Descriptor: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-03-27
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014

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