4DEI
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![BU of 4dei by Molmil](/molmil-images/mine/4dei) | 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
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4RT1
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![BU of 4rt1 by Molmil](/molmil-images/mine/4rt1) | 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
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2FZZ
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![BU of 2fzz by Molmil](/molmil-images/mine/2fzz) | 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
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2CYP
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![BU of 2cyp by Molmil](/molmil-images/mine/2cyp) | |
2YAD
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![BU of 2yad by Molmil](/molmil-images/mine/2yad) | 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
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1JCI
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![BU of 1jci by Molmil](/molmil-images/mine/1jci) | 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
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2BRL
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![BU of 2brl by Molmil](/molmil-images/mine/2brl) | |
2BRK
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![BU of 2brk by Molmil](/molmil-images/mine/2brk) | |
3CX2
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![BU of 3cx2 by Molmil](/molmil-images/mine/3cx2) | 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
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1L8J
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![BU of 1l8j by Molmil](/molmil-images/mine/1l8j) | 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
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1W2N
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![BU of 1w2n by Molmil](/molmil-images/mine/1w2n) | 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
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2PN4
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![BU of 2pn4 by Molmil](/molmil-images/mine/2pn4) | 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
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2EXV
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![BU of 2exv by Molmil](/molmil-images/mine/2exv) | 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
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1R5Z
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![BU of 1r5z by Molmil](/molmil-images/mine/1r5z) | 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
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3M97
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![BU of 3m97 by Molmil](/molmil-images/mine/3m97) | 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
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2P16
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![BU of 2p16 by Molmil](/molmil-images/mine/2p16) | 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
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2E9N
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![BU of 2e9n by Molmil](/molmil-images/mine/2e9n) | 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
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1I52
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![BU of 1i52 by Molmil](/molmil-images/mine/1i52) | 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
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1TBN
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![BU of 1tbn by Molmil](/molmil-images/mine/1tbn) | 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
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1TBO
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![BU of 1tbo by Molmil](/molmil-images/mine/1tbo) | 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
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3DTC
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![BU of 3dtc by Molmil](/molmil-images/mine/3dtc) | 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
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4Q9Z
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![BU of 4q9z by Molmil](/molmil-images/mine/4q9z) | 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
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1IVT
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![BU of 1ivt by Molmil](/molmil-images/mine/1ivt) | 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
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1KOK
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![BU of 1kok by Molmil](/molmil-images/mine/1kok) | 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
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4RNH
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![BU of 4rnh by Molmil](/molmil-images/mine/4rnh) | 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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