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PDB: 227 results

2CM8
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Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
Descriptor: 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CNG
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Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B
Descriptor: GLYCEROL, MAGNESIUM ION, N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE, ...
Authors:Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-21
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
1QBT
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
Authors:Ala, P, Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
1QBU
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor: HIV-1 PROTEASE, [4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN] METHYL-2-THIAZOLYLBENZAMIDE
Authors:Ala, P, Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
2CM2
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BU of 2cm2 by Molmil
Structure of Protein Tyrosine Phosphatase 1B (P212121)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CM3
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Structure of Protein Tyrosine Phosphatase 1B (C2)
Descriptor: CALCIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-04
Release date:2006-08-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CNH
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Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B
Descriptor: CALCIUM ION, N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-21
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
4EL8
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The unliganded structure of C.bescii CelA GH48 module
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside hydrolase family 48, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2012-04-10
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Revealing nature's cellulase diversity: the digestion mechanism of Caldicellulosiruptor bescii CelA.
Science, 342, 2013
1QBS
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BU of 1qbs by Molmil
HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
Authors:Ala, P, Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
5O44
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Crystal structure of unbranched mixed tri-Ubiquitin chain containing K48 and K63 linkages.
Descriptor: MAGNESIUM ION, Polyubiquitin-B, SULFATE ION, ...
Authors:Padala, P, Isupov, M.N, Wiener, R.
Deposit date:2017-05-26
Release date:2017-11-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:The Crystal Structure and Conformations of an Unbranched Mixed Tri-Ubiquitin Chain Containing K48 and K63 Linkages.
J. Mol. Biol., 429, 2017
6N2C
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BU of 6n2c by Molmil
The Crystal Structure of Caldicellulosiruptor hydrothermalis Tapirin C-terminal domain
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Appl. Environ. Microbiol., 85, 2019
6N2B
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BU of 6n2b by Molmil
The Crystal Structure of Caldicellulosiruptor kristjanssonii Tapirin C-terminal domain
Descriptor: CALCIUM ION, GLYCEROL, Tapirin
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Appl. Environ. Microbiol., 85, 2019
6VSP
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BU of 6vsp by Molmil
Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A
Descriptor: 1,2-ETHANEDIOL, 2,3-butanediol dehydrogenase, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2020-02-11
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phylogenetics-based identification and characterization of a superior 2,3-butanediol dehydrogenase for Zymomonas mobilis expression.
Biotechnol Biofuels, 13, 2020
6D5C
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BU of 6d5c by Molmil
Structure of Caldicellulosiruptor danielii GH10 module of glycoside hydrolase WP_045175321
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
AIChE J., 2019
5O36
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BU of 5o36 by Molmil
Japanese encephalitis virus non-structural protein 1' C-terminal domain
Descriptor: Japanese encephalitis virus non-structural protein 1' (NS1'),Japanese encephalitis virus non-structural protein 1' (NS1'), N-PROPANOL, SULFATE ION
Authors:Thanalai, P, Wright, G.S.A, Antonyuk, S.V.
Deposit date:2017-05-23
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus.
J. Virol., 92, 2018
6CCI
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BU of 6cci by Molmil
The Crystal Structure of XOAT1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-02-07
Release date:2019-02-20
Last modified:2020-09-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Mechanism of Polysaccharide Acetylation by the Arabidopsis XylanO-acetyltransferase XOAT1.
Plant Cell, 32, 2020
3F27
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BU of 3f27 by Molmil
Structure of Sox17 Bound to DNA
Descriptor: DNA (5'-D(*DCP*DCP*DAP*DGP*DGP*DAP*DCP*DAP*DAP*DTP*DAP*DGP*DAP*DGP*DAP*DC)-3'), DNA (5'-D(*DGP*DTP*DCP*DTP*DCP*DTP*DAP*DTP*DTP*DGP*DTP*DCP*DCP*DTP*DGP*DG)-3'), Transcription factor SOX-17
Authors:Palasingam, P, Jauch, R, Ng, C.K.L, Kolatkar, P.R.
Deposit date:2008-10-29
Release date:2009-04-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Structure of Sox17 Bound to DNA Reveals a Conserved Bending Topology but Selective Protein Interaction Platforms
J.Mol.Biol., 388, 2009
2KHJ
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BU of 2khj by Molmil
NMR structure of the domain 6 of the E. coli ribosomal protein S1
Descriptor: 30S ribosomal protein S1
Authors:Salah, P, Bisaglia, M, Aliprandi, P, Uzan, M, Sizun, C, Bontems, F.
Deposit date:2009-04-07
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Probing the relationship between Gram-negative and Gram-positive S1 proteins by sequence analysis
Nucleic Acids Res., 37, 2009
2KHI
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BU of 2khi by Molmil
NMR structure of the domain 4 of the E. coli ribosomal protein S1
Descriptor: 30S ribosomal protein S1
Authors:Salah, P, Bisaglia, M, Aliprandi, P, Uzan, M, Sizun, C, Bontems, F.
Deposit date:2009-04-07
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Probing the relationship between Gram-negative and Gram-positive S1 proteins by sequence analysis
Nucleic Acids Res., 37, 2009
6XEX
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BU of 6xex by Molmil
Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A/V139Q
Descriptor: 1,2-ETHANEDIOL, 2,3-butanediol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2020-06-14
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phylogenetics-based identification and characterization of a superior 2,3-butanediol dehydrogenase for Zymomonas mobilis expression.
Biotechnol Biofuels, 13, 2020
6XEW
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BU of 6xew by Molmil
Structure of Serratia marcescens 2,3-butanediol dehydrogenase
Descriptor: 2,3-butanediol dehydrogenase, ADENOSINE-5'-DIPHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2020-06-14
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phylogenetics-based identification and characterization of a superior 2,3-butanediol dehydrogenase for Zymomonas mobilis expression.
Biotechnol Biofuels, 13, 2020
5IA7
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BU of 5ia7 by Molmil
Crystal structure of Ubiquitin fold modifier 1 (Ufm1)
Descriptor: Ubiquitin-fold modifier 1
Authors:Padala, P, Oweis, W, Wiener, R.
Deposit date:2016-02-21
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel insights into the interaction of UBA5 with UFM1 via a UFM1-interacting sequence.
Sci Rep, 7, 2017
4XEB
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The structure of P. funicolosum Cel7A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2014-12-23
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering enhanced cellobiohydrolase activity
Nat Commun, 9(1), 2018
5ECU
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BU of 5ecu by Molmil
The unliganded structure of Caldicellulosiruptor saccharolyticus GH5
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2015-10-20
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of Caldicellulosiruptor saccharolyticus GH5
To Be Published
5KWK
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The structure of Arabidopsis thaliana FUT1 in complex with GDP
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2016-07-18
Release date:2016-09-28
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, mutagenic and in silico studies of xyloglucan fucosylation in Arabidopsis thaliana suggest a water-mediated mechanism.
Plant J., 91, 2017

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