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4S3I
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BU of 4s3i by Molmil
Crystal structure of beta clamp from Helicobacter pylori
Descriptor: DNA polymerase III subunit beta
Authors:Pandey, P, Tarique, K.F, Abdul Rehman, S.A, Gourinath, S.
Deposit date:2015-01-28
Release date:2016-02-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Structural insight into beta-Clamp and its interaction with DNA Ligase in Helicobacter pylori.
Sci Rep, 6, 2016
5G4Q
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BU of 5g4q by Molmil
H.pylori Beta clamp in complex with 5-chloroisatin
Descriptor: 5-chloro-1H-indole-2,3-dione, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2016-05-16
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
5G48
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BU of 5g48 by Molmil
H.pylori Beta clamp in complex with Diflunisal
Descriptor: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2016-05-06
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Targeting the beta-clamp in Helicobacter pylori with FDA-approved drugs reveals micromolar inhibition by diflunisal.
FEBS Lett., 591, 2017
5FRQ
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BU of 5frq by Molmil
Crystal Structure of Helicobacter pylori beta clamp bound to DNA ligase peptide
Descriptor: DNA LIGASE, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2015-12-21
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight Into Beta-Clamp and its Interaction with DNA Ligase in Helicobacter Pylori
Sci.Rep., 6, 2016
5FXT
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BU of 5fxt by Molmil
Crystal Structure of Helicobacter pylori beta clamp in complex with Carprofen
Descriptor: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2016-03-02
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
5FVE
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BU of 5fve by Molmil
Crystal Structure of Helicobacter pylori beta clamp in complex with 3, 4-Difluorobenzamide
Descriptor: 3,4-difluorobenzamide, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2016-02-05
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
2FDA
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BU of 2fda by Molmil
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
Descriptor: BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ...
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-12-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1U59
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BU of 1u59 by Molmil
Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine
Descriptor: STAUROSPORINE, Tyrosine-protein kinase ZAP-70
Authors:Jin, L, Pluskey, S, Petrella, E.C, Cantin, S.M, Gorga, J.C, Rynkiewicz, M.J, Pandey, P, Strickler, J.E, Babine, R.E, Weaver, D.T, Seidl, K.J.
Deposit date:2004-07-27
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Three-dimensional Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine: IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS
J.Biol.Chem., 279, 2004
1XX9
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BU of 1xx9 by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, Ecotin
Authors:Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2004-11-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1XXD
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BU of 1xxd by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin
Descriptor: Coagulation factor XI, Ecotin
Authors:Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2004-11-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1XXF
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BU of 1xxf by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP)
Descriptor: Coagulation factor XI, Ecotin, SODIUM ION
Authors:Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2004-11-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1ZPB
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BU of 1zpb by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
Descriptor: 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION
Authors:Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-05-16
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZPC
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BU of 1zpc by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
Descriptor: 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION
Authors:Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-05-16
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZOM
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BU of 1zom by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor
Descriptor: (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION
Authors:Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J.
Deposit date:2005-05-13
Release date:2006-05-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants.
J.Med.Chem., 49, 2006
1ZHR
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BU of 1zhr by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant)
Descriptor: BENZAMIDINE, coagulation factor XI
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-04-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1ZJD
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BU of 1zjd by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease Inhibitor Domain of Protease Nexin II
Descriptor: Catalytic Domain of Coagulation Factor XI, Kunitz Protease Inhibitory Domain of Protease Nexin II
Authors:Jin, L, Navaneetham, D, Pandey, P, Strickler, J.E, Babine, R.E, Walsh, P.N, Abdel-Meguid, S.S.
Deposit date:2005-04-28
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Mutational Analyses of the Molecular Interactions between the Catalytic Domain of Factor XIa and the Kunitz Protease Inhibitor Domain of Protease Nexin 2
J.Biol.Chem., 280, 2005
1ZHP
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BU of 1zhp by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant)
Descriptor: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-04-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1ZHM
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BU of 1zhm by Molmil
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant)
Descriptor: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-04-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
4RKI
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BU of 4rki by Molmil
Crystal structure of sliding beta clamp from Helicobacter pylori
Descriptor: DNA polymerase III subunit beta
Authors:Satyawali, P, Tarique, K.F, Abdul Rehman, S.A, Gourinath, S.
Deposit date:2014-10-13
Release date:2016-01-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into beta-Clamp and its interaction with DNA Ligase in Helicobacter pylori.
Sci Rep, 6, 2016
8TH2
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BU of 8th2 by Molmil
Structure of the isoflavene-forming dirigent protein PsPTS2
Descriptor: Dirigent protein
Authors:Smith, C.A, Meng, Q, Lewis, N.G, Davin, L.B.
Deposit date:2023-07-13
Release date:2024-01-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dirigent isoflavene-forming PsPTS2: 3D structure, stereochemical, and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea.
J.Biol.Chem., 300, 2024
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
6OAU
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BU of 6oau by Molmil
Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in GnTI-deficient HEK293-F cells
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycosylphosphatidylinositol-anchored high density lipoprotein-binding protein 1, ...
Authors:Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J.
Deposit date:2019-03-18
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OB0
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BU of 6ob0 by Molmil
Compound 2 bound structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J.
Deposit date:2019-03-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OAZ
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BU of 6oaz by Molmil
Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J.
Deposit date:2019-03-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
Descriptor: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
Authors:Kohls, D, Xie, X.
Deposit date:2015-09-15
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016

 

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