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4DEI
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BU of 4dei by Molmil
Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24
Descriptor: 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor
Authors:Whittington, D.A, Long, A.M.
Deposit date:2012-01-20
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4RT1
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Structure of the Alg44 PilZ domain (R95A mutant) from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, CHLORIDE ION, ...
Authors:Whitfield, G.B, Whitney, J.C.
Deposit date:2014-11-12
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa.
J.Biol.Chem., 290, 2015
2FZZ
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BU of 2fzz by Molmil
Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
Descriptor: 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2006-02-10
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.
Bioorg.Med.Chem.Lett., 16, 2006
2CYP
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BU of 2cyp by Molmil
Crystal structure of yeast cytochrome C peroxidase refined at 1.7-angstroms resolution
Descriptor: CYTOCHROME C PEROXIDASE, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Finzel, B.C, Poulos, T.L, Kraut, J.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast cytochrome c peroxidase refined at 1.7-A resolution
J.Biol.Chem., 259, 1984
2YAD
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BU of 2yad by Molmil
BRICHOS domain of Surfactant protein C precursor protein
Descriptor: SURFACTANT PROTEIN C BRICHOS DOMAIN
Authors:Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D.
Deposit date:2011-02-18
Release date:2012-02-15
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
1JCI
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BU of 1jci by Molmil
Stabilization of the Engineered Cation-binding Loop in Cytochrome c Peroxidase (CcP)
Descriptor: Cytochrome C Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhaskar, B, Bonagura, C.A, Li, H, Poulos, T.L.
Deposit date:2001-06-09
Release date:2002-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cation-induced stabilization of the engineered cation-binding loop in cytochrome c peroxidase (CcP).
Biochemistry, 41, 2002
2BRL
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Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
Descriptor: 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2BRK
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Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
Descriptor: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
3CX2
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BU of 3cx2 by Molmil
Crystal structure of the C1 domain of cardiac isoform of myosin binding protein-C at 1.3A
Descriptor: Myosin-binding protein C, cardiac-type
Authors:Fisher, S.J, Helliwell, J.R, Khurshid, S, Govada, L, Redwood, C, Squire, J.M, Chayen, N.E.
Deposit date:2008-04-23
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An investigation into the protonation states of the C1 domain of cardiac myosin-binding protein C
Acta Crystallogr.,Sect.D, 64, 2008
1L8J
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BU of 1l8j by Molmil
Crystal Structure of the Endothelial Protein C Receptor and Bound Phospholipid Molecule
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, ...
Authors:Oganesyan, V, Oganesyan, N, Terzyan, S, Dongfeng, Q, Dauter, Z, Esmon, N.L, Esmon, C.T.
Deposit date:2002-03-20
Release date:2002-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the endothelial protein C receptor and a bound phospholipid.
J.Biol.Chem., 277, 2002
1W2N
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BU of 1w2n by Molmil
Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin
Descriptor: (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION
Authors:Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I.
Deposit date:2004-07-07
Release date:2004-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase
J.Mol.Biol., 343, 2004
2PN4
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BU of 2pn4 by Molmil
Crystal Structure of Hepatitis C Virus IRES Subdomain IIa
Descriptor: 5'-R(*CP*GP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*AP*CP*GP*CP*C)-3', 5'-R(*GP*CP*GP*(5BU)P*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*(5BU)P*CP*CP*GP*G)-3', STRONTIUM ION
Authors:Zhao, Q, Han, Q, Kissinger, C.R, Thompson, P.A.
Deposit date:2007-04-23
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of hepatitis C virus IRES subdomain IIa.
Acta Crystallogr.,Sect.D, 64, 2008
2EXV
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BU of 2exv by Molmil
Crystal structure of the F7A mutant of the cytochrome c551 from Pseudomonas aeruginosa
Descriptor: ACETIC ACID, Cytochrome c-551, HEME C
Authors:Bonivento, D, Di Matteo, A, Borgia, A, Travaglini-Allocatelli, C, Brunori, M.
Deposit date:2005-11-09
Release date:2006-02-07
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Unveiling a Hidden Folding Intermediate in c-Type Cytochromes by Protein Engineering
J.Biol.Chem., 281, 2006
1R5Z
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BU of 1r5z by Molmil
Crystal Structure of Subunit C of V-ATPase
Descriptor: V-type ATP synthase subunit C
Authors:Iwata, M, Imamura, H, Stambouli, E, Ikeda, C, Tamakoshi, M, Nagata, K, Makyio, H, Hankamer, B, Barber, J, Yoshida, M, Yokoyama, K, Iwata, S.
Deposit date:2003-10-14
Release date:2004-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a central stalk subunit C and reversible association/dissociation of vacuole-type ATPase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
3M97
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BU of 3m97 by Molmil
Structure of the soluble domain of cytochrome c552 with its flexible linker segment from Paracoccus denitrificans
Descriptor: Cytochrome c-552, HEME C, ZINC ION
Authors:Rajendran, C, Ermler, U, Ludwig, B, Michel, H.
Deposit date:2010-03-20
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Structure at 1.5 A resolution of cytochrome c(552) with its flexible linker segment, a membrane-anchored protein from Paracoccus denitrificans.
Acta Crystallogr.,Sect.D, 66, 2010
2P16
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BU of 2p16 by Molmil
Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE
Descriptor: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, CALCIUM ION, Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor)
Authors:Alexander, R.
Deposit date:2007-03-02
Release date:2007-10-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa.
J.Med.Chem., 50, 2007
2E9N
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BU of 2e9n by Molmil
Structure of h-CHK1 complexed with A767085
Descriptor: 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE, Serine/threonine-protein kinase Chk1
Authors:Park, C.
Deposit date:2007-01-26
Release date:2008-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
1I52
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BU of 1i52 by Molmil
CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS
Descriptor: 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHASE, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, M, Cane, D.E, Noel, J.P.
Deposit date:2001-02-23
Release date:2001-07-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis.
Nat.Struct.Biol., 8, 2001
1TBN
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NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, MINIMIZED AVERAGE STRUCTURE
Descriptor: PROTEIN KINASE C, GAMMA TYPE, ZINC ION
Authors:Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C.
Deposit date:1997-04-15
Release date:1998-04-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions.
Biochemistry, 36, 1997
1TBO
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BU of 1tbo by Molmil
NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, 30 STRUCTURES
Descriptor: PROTEIN KINASE C, GAMMA TYPE, ZINC ION
Authors:Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C.
Deposit date:1997-04-15
Release date:1998-04-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions.
Biochemistry, 36, 1997
3DTC
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BU of 3dtc by Molmil
Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16
Descriptor: 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION
Authors:Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C.
Deposit date:2008-07-14
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
4Q9Z
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Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-02
Release date:2014-07-02
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
1IVT
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BU of 1ivt by Molmil
NMR structures of the C-terminal globular domain of human lamin A/C
Descriptor: Lamin A/C
Authors:Krimm, I, Ostlund, C, Gilquin, B, Couprie, J, Hossenlopp, P, Mornon, J.P, Bonn, G, Courvalin, J.C, Worman, H.J, Zinn-Justin, S.
Deposit date:2002-03-29
Release date:2002-08-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The Ig-like structure of the C-terminal domain of lamin A/C, mutated in muscular dystrophies, cardiomyopathy, and partial lipodystrophy.
Structure, 10, 2002
1KOK
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BU of 1kok by Molmil
Crystal Structure of Mesopone Cytochrome c Peroxidase (MpCcP)
Descriptor: Cytochrome c Peroxidase, FE(III)-(4-MESOPORPHYRINONE)
Authors:Bhaskar, B, Immoos, C.E, Cohen, M.S, Barrows, T.P, Farmer, P.J, Poulos, T.L.
Deposit date:2001-12-20
Release date:2002-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mesopone cytochrome c peroxidase: functional model of heme oxygenated oxidases.
J.Inorg.Biochem., 91, 2002
4RNH
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PaMorA tandem diguanylate cyclase - phosphodiesterase, c-di-GMP complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Motility regulator
Authors:Phippen, C.W, Tews, I.
Deposit date:2014-10-24
Release date:2014-11-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Formation and dimerization of the phosphodiesterase active site of the Pseudomonas aeruginosa MorA, a bi-functional c-di-GMP regulator.
Febs Lett., 588, 2014

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