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2LIP
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BU of 2lip by Molmil
PSEUDOMONAS LIPASE OPEN CONFORMATION
Descriptor: CALCIUM ION, LIPASE
Authors:Schrag, J.D, Cygler, M.
Deposit date:1996-12-13
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
4LIP
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BU of 4lip by Molmil
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-DIBUTYLCARBAMOYLGLYCERO-3-O-BUTYLPHOSPHONATE
Descriptor: BUTYLPHOSPHONATE, CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Dijkstra, B.W.
Deposit date:1997-08-18
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998
5LIP
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BU of 5lip by Molmil
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-1,2-DIOCTYLCARBAMOYLGLYCERO-3-O-OCTYLPHOSPHONATE
Descriptor: CALCIUM ION, OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER, TRIACYL-GLYCEROL HYDROLASE
Authors:Lang, D.A, Dijkstra, B.W.
Deposit date:1997-09-02
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998
1PIF
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BU of 1pif by Molmil
PIG ALPHA-AMYLASE
Descriptor: ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION
Authors:Machius, M, Vertesy, L, Huber, R, Wiegand, G.
Deposit date:1996-06-15
Release date:1996-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Carbohydrate and protein-based inhibitors of porcine pancreatic alpha-amylase: structure analysis and comparison of their binding characteristics.
J.Mol.Biol., 260, 1996
1PIG
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BU of 1pig by Molmil
PIG PANCREATIC ALPHA-AMYLASE COMPLEXED WITH THE OLIGOSACCHARIDE V-1532
Descriptor: 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ...
Authors:Machius, M, Vertesy, L, Huber, R, Wiegand, G.
Deposit date:1996-06-15
Release date:1996-12-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Carbohydrate and protein-based inhibitors of porcine pancreatic alpha-amylase: structure analysis and comparison of their binding characteristics.
J.Mol.Biol., 260, 1996
1BVN
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BU of 1bvn by Molmil
PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT
Descriptor: CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE), ...
Authors:Machius, M, Wiegand, G, Epp, O, Huber, R.
Deposit date:1998-09-16
Release date:1998-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of porcine pancreatic alpha-amylase in complex with the microbial inhibitor Tendamistat.
J.Mol.Biol., 247, 1995
1IGT
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BU of 1igt by Molmil
STRUCTURE OF IMMUNOGLOBULIN
Descriptor: IGG2A INTACT ANTIBODY - MAB231, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Harris, L.J, Larson, S.B, Hasel, K.W, McPherson, A.
Deposit date:1996-10-25
Release date:1997-07-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined structure of an intact IgG2a monoclonal antibody.
Biochemistry, 36, 1997
1STM
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BU of 1stm by Molmil
SATELLITE PANICUM MOSAIC VIRUS
Descriptor: SATELLITE PANICUM MOSAIC VIRUS
Authors:Ban, N, McPherson, A.
Deposit date:1995-07-12
Release date:1997-01-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of satellite panicum mosaic virus at 1.9 A resolution.
Nat.Struct.Biol., 2, 1995
1W39
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BU of 1w39 by Molmil
Crystal structure of an artificial top component of turnip yellow mosaic virus
Descriptor: TURNIP YELLOW MOSAIC VIRUS EMPTY CAPSID
Authors:van Roon, A.M.M, Bink, H.H.J, Plaisier, J.R, Pleij, C.W.A, Abrahams, J.P, Pannu, N.S.
Deposit date:2004-07-14
Release date:2004-08-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Crystal Structure of an Empty Capsid of Turnip Yellow Mosaic Virus.
J.Mol.Biol., 341, 2004
1LAJ
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BU of 1laj by Molmil
The Structure of Tomato Aspermy Virus by X-Ray Crystallography
Descriptor: 5'-R(*AP*AP*A)-3', MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Lucas, R.W, Larson, S.B, Canady, M.A, McPherson, A.
Deposit date:2002-03-28
Release date:2002-11-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Structure of Tomato Aspermy Virus by X-Ray Crystallography
J.STRUCT.BIOL., 139, 2002
7JLR
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BU of 7jlr by Molmil
Crystal structure of Bacillus subtilis UppS in complex with JPD447
Descriptor: 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-30
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7JLM
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BU of 7jlm by Molmil
Crystal structure of Bacillus subtilis UppS in complex with MAC-0547630
Descriptor: 7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine, CITRIC ACID, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-29
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7JLI
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BU of 7jli by Molmil
Crystal structure of Bacillus subtilis UppS
Descriptor: DI(HYDROXYETHYL)ETHER, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-29
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7JLJ
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BU of 7jlj by Molmil
Crystal structure of Bacillus subtilis UppS in complex with clomiphene
Descriptor: Clomifene, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-29
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
4RVK
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BU of 4rvk by Molmil
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Descriptor: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVL
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BU of 4rvl by Molmil
CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Descriptor: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Descriptor: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4QYE
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BU of 4qye by Molmil
CHK1 kinase domain in complex with diarylpyrazine compound 1
Descriptor: 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
Authors:Appleton, B, Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYH
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BU of 4qyh by Molmil
CHK1 kinase domain in complex with diazacarbazole GNE-783
Descriptor: 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYG
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BU of 4qyg by Molmil
CHK1 kinase domain in complex with diazacarbazole compound 14
Descriptor: 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYF
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BU of 4qyf by Molmil
CHK1 kinase domain in complex with aminopyrazine compound 13
Descriptor: 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
Authors:Appleton, B, Wu, P.
Deposit date:2014-07-24
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4GFO
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BU of 4gfo by Molmil
TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
Descriptor: 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-08-03
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GIH
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BU of 4gih by Molmil
Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013

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