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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
6USY
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BU of 6usy by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936
Descriptor: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain
Authors:Weihofen, W.A, Clark, K, Nunes, S.
Deposit date:2019-10-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.26 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
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
6F2C
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BU of 6f2c by Molmil
Methylglyoxal synthase MgsA from Bacillus subtilis
Descriptor: CHLORIDE ION, GLYCEROL, Methylglyoxal synthase
Authors:Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2017-11-24
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for the regulatory interaction of the methylglyoxal synthase MgsA with the carbon flux regulator Crh inBacillus subtilis.
J. Biol. Chem., 293, 2018
8DL0
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BU of 8dl0 by Molmil
CryoEM structure of the nucleotide-free and open channel A.aeolicus WzmWzt transporter
Descriptor: ABC transporter, Transport permease protein
Authors:Spellmon, N, Zimmer, J.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
8DKY
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BU of 8dky by Molmil
Crystal structure of the Aquifex aeolicus Wzt Carbohydrate Binding Domain bound to 3-O-methyl-D-mannose
Descriptor: 3-O-methyl-alpha-D-mannopyranose, ABC transporter
Authors:Spellmon, N, Zimmer, J.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
8DN8
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BU of 8dn8 by Molmil
CryoEM structure of the A. aeolicus WzmWzt transporter bound to 3-O-methyl-D-mannose
Descriptor: 3-O-methyl-alpha-D-mannopyranose, ABC transporter, Transport permease protein
Authors:Spellmon, N, Zimmer, J.
Deposit date:2022-07-10
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
8DOU
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BU of 8dou by Molmil
CryoEM structure of the A. aeolicus WzmWzt transporter bound to ADP
Descriptor: ABC transporter, ADENOSINE-5'-DIPHOSPHATE, Transport permease protein
Authors:Gorniak, I, Zimmer, J.
Deposit date:2022-07-14
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
8DNE
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BU of 8dne by Molmil
CryoEM structure of the A.aeolicus WzmWzt transporter bound to ATP
Descriptor: ABC transporter, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Spellmon, N, Zimmer, J.
Deposit date:2022-07-11
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
7Z8E
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BU of 7z8e by Molmil
Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, GLY-SER-ASP-VAL-ALA, ...
Authors:Morera, S, Vigouroux, V, Travin, D.Y.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria.
Mbio, 14, 2023
6RNG
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BU of 6rng by Molmil
Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase
Descriptor: Fructose-bisphosphate aldolase 6, cytosolic, GLYCINE, ...
Authors:Shahar, A, Zarivach, R, Skirycz, A, Wojciechowska, I.
Deposit date:2019-05-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase
Not Published
6RS1
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BU of 6rs1 by Molmil
Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase
Descriptor: Fructose-bisphosphate aldolase 6, cytosolic, SULFATE ION
Authors:Shahar, A, Zarivach, R, Skirycz, A, Wojciechowska, I.
Deposit date:2019-05-21
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase
To Be Published
2M4Q
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BU of 2m4q by Molmil
NMR structure of E. coli ribosomela decoding site with apramycin
Descriptor: APRAMYCIN, RNA (27-MER)
Authors:Puglisi, J.D, Tsai, A, Marshall, R, Viani, E.
Deposit date:2013-02-10
Release date:2013-03-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The impact of aminoglycosides on the dynamics of translation elongation.
Cell Rep, 3, 2013
1M8Z
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BU of 1m8z by Molmil
Crystal Structure Of A Pumilio-Homology Domain
Descriptor: BETA-MERCAPTOETHANOL, PUMILIO 1
Authors:Wang, X, Zamore, P.D, Hall, T.M.T.
Deposit date:2002-07-26
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a Pumilio homology domain.
Mol.Cell, 7, 2001
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