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7L2L
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BU of 7l2l by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 in O1 state
Descriptor: Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2020-12-17
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2T
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BU of 7l2t by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 in partial open state
Descriptor: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, SODIUM ION, ...
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2020-12-17
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
1BNO
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BU of 1bno by Molmil
NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA POLYMERASE BETA
Authors:Liu, D.-J, Prasad, R, Wilson, S.H, Derose, E.F, Mullen, G.P.
Deposit date:1996-04-25
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the N-terminal domain of DNA polymerase beta and mapping of the ssDNA interaction interface.
Biochemistry, 35, 1996
1BNP
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BU of 1bnp by Molmil
NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, 55 STRUCTURES
Descriptor: DNA POLYMERASE BETA
Authors:Liu, D.-J, Prasad, R, Wilson, S.H, Derose, E.F, Mullen, G.P.
Deposit date:1996-04-25
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the N-terminal domain of DNA polymerase beta and mapping of the ssDNA interaction interface.
Biochemistry, 35, 1996
1YYB
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BU of 1yyb by Molmil
Solution structure of 1-26 fragment of human programmed cell death 5 protein
Descriptor: Programmed cell death protein 5
Authors:Liu, D.S, Feng, Y.G, Yao, H.W, Wang, J.F.
Deposit date:2005-02-24
Release date:2005-09-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The N-terminal 26-residue fragment of human programmed cell death 5 protein can form a stable alpha-helix having unique electrostatic potential character.
Biochem.J., 392, 2005
6JL7
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BU of 6jl7 by Molmil
crystal structure of TBC1D23 N terminal domain
Descriptor: TBC1 domain family member 23
Authors:Sun, Q, Hu, W, Jia, D.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of TBC1D23 N-terminus reveals a novel role for rhodanese domain.
Plos Biol., 18, 2020
7F29
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BU of 7f29 by Molmil
Cryo-EM structure of the fibril formed by disaccharide-modified amyloid-beta(1-42)
Descriptor: ACETIC ACID, Amyloid-beta A4 protein, beta-D-galactopyranose-(1-3)-2-amino-2-deoxy-alpha-D-galactopyranose
Authors:Xia, W.C, Sun, Y.P, Liu, C.
Deposit date:2021-06-10
Release date:2022-07-13
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:O-Glycosylation Induces Amyloid-beta To Form New Fibril Polymorphs Vulnerable for Degradation
J.Am.Chem.Soc., 143, 2021
7T33
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BU of 7t33 by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
7T2Z
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BU of 7t2z by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with 1-methyl-5-nitroimidazole
Descriptor: 1,2-ETHANEDIOL, 1-methyl-5-nitro-1H-imidazole, ACETIC ACID, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2547 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
4J51
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BU of 4j51 by Molmil
Cyrstal structure of protein tyrosine phosphatase Lyp catalytic domain complex with small molecular inhibitor L75N04
Descriptor: 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 22
Authors:Liu, D, He, Y, Zhang, Z.-Y.
Deposit date:2013-02-07
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Potent and Selective Small-Molecule Inhibitor for the Lymphoid-Specific Tyrosine Phosphatase (LYP), a Target Associated with Autoimmune Diseases.
J.Med.Chem., 56, 2013
7FH1
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BU of 7fh1 by Molmil
Structure of the human Meckelin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Meckelin, beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gong, D.S.
Deposit date:2021-07-29
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of the human Meckel-Gruber protein Meckelin.
Sci Adv, 7, 2021
7VKI
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BU of 7vki by Molmil
ESRP1 qRRM2 in complex with 12mer-RNA
Descriptor: Epithelial splicing regulatory protein 1, RNA (12-mer)
Authors:Wu, B.X, Patel, D.J.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:ESRP1 controls biogenesis and function of a large abundant multiexon circRNA.
Nucleic Acids Res., 2023
3BU7
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BU of 3bu7 by Molmil
Crystal Structure and Biochemical Characterization of GDOsp, a Gentisate 1,2-Dioxygenase from Silicibacter Pomeroyi
Descriptor: FE (II) ION, Gentisate 1,2-dioxygenase
Authors:Chen, J, Wang, M.Z, Zhu, G.Y, Zhang, X.C, Rao, Z.H.
Deposit date:2008-01-02
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2-dioxygenase from Silicibacter pomeroyi.
Protein Sci., 17, 2008
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
Descriptor: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Lou, Z.Y, Yan, L.M, Ma, Y.Y.
Deposit date:2011-11-05
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012
5HFJ
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BU of 5hfj by Molmil
crystal structure of M1.HpyAVI-SAM complex
Descriptor: Adenine specific DNA methyltransferase (DpnA), S-ADENOSYLMETHIONINE
Authors:Ma, B, Liu, W, Zhang, H.
Deposit date:2016-01-07
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori
Oncotarget, 7, 2016
4OB0
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BU of 4ob0 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid
Descriptor: COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
4OB3
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BU of 4ob3 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila : A Reference Structure to Boronic Acid Inhibition of Nitrile Hydratase
Descriptor: COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
4OB2
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BU of 4ob2 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Crystal Soaking
Descriptor: 1-BUTANE BORONIC ACID, COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
6T7P
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BU of 6t7p by Molmil
human plasmakallikrein protease domain in complex with active site directed inhibitor
Descriptor: (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
Authors:Renatus, M.
Deposit date:2019-10-22
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.416 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TS5
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BU of 6ts5 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TS6
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BU of 6ts6 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TS4
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BU of 6ts4 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TS7
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BU of 6ts7 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6KIK
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BU of 6kik by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat
Descriptor: Oxidoreductase, aldo/keto reductase family, TOLRESTAT
Authors:Zhang, C.Y, Liu, X.M, Wang, C, Tang, W.R.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
6KIY
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Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, aldo/keto reductase family, ...
Authors:Zhang, C.Y, Liu, X.M, Wang, C, Min, Z.Z, Xu, X.L.
Deposit date:2019-07-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020

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