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8F1D
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BU of 8f1d by Molmil
Voltage-gated potassium channel Kv3.1 apo
Descriptor: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1C
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BU of 8f1c by Molmil
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
Descriptor: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chen, Y, Klein, D.
Deposit date:2023-03-17
Release date:2024-04-24
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
8CQI
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BU of 8cqi by Molmil
Human heparanase in complex with inhibitor R3794
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ...
Authors:Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
Deposit date:2023-03-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
5K8Q
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BU of 5k8q by Molmil
Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide.
Descriptor: CALCIUM ION, Calmodulin, IMIDAZOLE, ...
Authors:Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J.
Deposit date:2016-05-30
Release date:2016-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
4P5U
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BU of 4p5u by Molmil
Crystal structure of TatD
Descriptor: Tat-linked quality control protein TatD
Authors:Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
Deposit date:2014-03-20
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
4PE8
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BU of 4pe8 by Molmil
Crystal structure of TatD in complex with trinucleotide DNA
Descriptor: DNA (5'-D(*GP*CP*T)-3'), Tat-linked quality control protein TatD
Authors:Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
2PKG
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BU of 2pkg by Molmil
Structure of a complex between the A subunit of protein phosphatase 2A and the small t antigen of SV40
Descriptor: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Small T antigen, ZINC ION
Authors:Jeffrey, P.D, Shi, Y.
Deposit date:2007-04-17
Release date:2007-05-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and biochemical insights into the regulation of protein phosphatase 2A by small t antigen of SV40.
Nat.Struct.Mol.Biol., 14, 2007
4XGY
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BU of 4xgy by Molmil
GFP based antibody (fluorobody)
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3
Authors:Shi, N, Chen, Y.G, Wang, S.H.
Deposit date:2015-01-03
Release date:2015-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus.
Acta Crystallogr.,Sect.F, 71, 2015
3RSV
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BU of 3rsv by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide
Descriptor: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTH
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BU of 3rth by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
Descriptor: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTN
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BU of 3rtn by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide
Descriptor: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RSX
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BU of 3rsx by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
Descriptor: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RU1
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BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-04
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RVI
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BU of 3rvi by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
Descriptor: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-06
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7KHF
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BU of 7khf by Molmil
CryoEM structure of LILRB1 D3D4 domain-inserted antibody MDB1 Fab in complex with Plasmodium RIFIN (PF3D7_1373400) V2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MDB1 Fab heavy chain, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-10-21
Release date:2021-03-31
Last modified:2021-05-05
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of malaria RIFIN binding by LILRB1-containing antibodies.
Nature, 592, 2021
7KFK
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BU of 7kfk by Molmil
Crystal structure of LILRB1 D3D4 domain in complex with Plasmodium RIFIN (PF3D7_1373400) V2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Leukocyte immunoglobulin-like receptor subfamily B member 1, Rifin, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2020-10-14
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural basis of malaria RIFIN binding by LILRB1-containing antibodies.
Nature, 592, 2021
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2021-08-18
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
8X61
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BU of 8x61 by Molmil
Cryo-EM structure of ATP-bound FtsE(E163Q)X
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX
Authors:Zhang, Z.Y, Chen, Y.T.
Deposit date:2023-11-20
Release date:2024-05-08
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division.
Plos Biol., 22, 2024
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2019-07-16
Release date:2020-06-03
Method:X-RAY DIFFRACTION (3.008 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
6IZH
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BU of 6izh by Molmil
Crystal structure of deaminase AmnE from Pseudomonas sp. AP-3
Descriptor: 2-aminomuconate deaminase, MAGNESIUM ION
Authors:Chen, Y.J, Chen, Y.P, Su, D.
Deposit date:2018-12-19
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:A Unique Homo-Hexameric Structure of 2-Aminomuconate Deaminase in the BacteriumPseudomonas species AP-3.
Front Microbiol, 10, 2019
6IMJ
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BU of 6imj by Molmil
The crystal structure of Se-AsfvLIG:DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019

223532

数据于2024-08-07公开中

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