3MMF
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![BU of 3mmf by Molmil](/molmil-images/mine/3mmf) | Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-19 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MNA
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![BU of 3mna by Molmil](/molmil-images/mine/3mna) | The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-21 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3N2P
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![BU of 3n2p by Molmil](/molmil-images/mine/3n2p) | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-18 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3MZC
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![BU of 3mzc by Molmil](/molmil-images/mine/3mzc) | Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-05-12 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N4B
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![BU of 3n4b by Molmil](/molmil-images/mine/3n4b) | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-21 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N0N
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![BU of 3n0n by Molmil](/molmil-images/mine/3n0n) | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-14 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3OW5
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![BU of 3ow5 by Molmil](/molmil-images/mine/3ow5) | |
3OU9
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![BU of 3ou9 by Molmil](/molmil-images/mine/3ou9) | |
2MG6
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![BU of 2mg6 by Molmil](/molmil-images/mine/2mg6) | Non-reducible analogues of alpha-conotoxin Vc1.1: [3,16]-trans dicarba Vc1.1 | Descriptor: | Alpha-conotoxin Vc1A | Authors: | Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S. | Deposit date: | 2013-10-28 | Release date: | 2013-12-18 | Method: | SOLUTION NMR | Cite: | Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors. Acs Chem.Biol., 8, 2013
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2MFY
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![BU of 2mfy by Molmil](/molmil-images/mine/2mfy) | Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-trans dicarba Vc1.1 | Descriptor: | Alpha-conotoxin Vc1A | Authors: | Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S. | Deposit date: | 2013-10-24 | Release date: | 2013-12-18 | Method: | SOLUTION NMR | Cite: | Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors. Acs Chem.Biol., 8, 2013
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2MFX
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![BU of 2mfx by Molmil](/molmil-images/mine/2mfx) | Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-cis dicarba Vc1.1 | Descriptor: | Alpha-conotoxin Vc1A | Authors: | Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S. | Deposit date: | 2013-10-24 | Release date: | 2013-12-18 | Method: | SOLUTION NMR | Cite: | Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors. Acs Chem.Biol., 8, 2013
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3OTM
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![BU of 3otm by Molmil](/molmil-images/mine/3otm) | |
3OUP
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![BU of 3oup by Molmil](/molmil-images/mine/3oup) | |
3OTZ
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![BU of 3otz by Molmil](/molmil-images/mine/3otz) | |
1KLC
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![BU of 1klc by Molmil](/molmil-images/mine/1klc) | SOLUTION STRUCTURE OF TGF-B1, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2. Biochemistry, 35, 1996
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1KLD
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![BU of 1kld by Molmil](/molmil-images/mine/1kld) | SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 18-33 OF 33 STRUCTURES | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2. Biochemistry, 35, 1996
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1KLA
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![BU of 1kla by Molmil](/molmil-images/mine/1kla) | SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 1-17 OF 33 STRUCTURES | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2. Biochemistry, 35, 1996
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3EKI
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![BU of 3eki by Molmil](/molmil-images/mine/3eki) | Structural insights of the Mycoplasma hyorhinis protein Mh-p37: A putative thiamine pyrophosphate transporter | Descriptor: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, McKenna, R. | Deposit date: | 2008-09-19 | Release date: | 2009-06-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the extracytoplasmic thiamine-binding lipoprotein p37 of Mycoplasma hyorhinis J.Bacteriol., 191, 2009
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1KTE
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![BU of 1kte by Molmil](/molmil-images/mine/1kte) | |
1Y8Y
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![BU of 1y8y by Molmil](/molmil-images/mine/1y8y) | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2 | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | Deposit date: | 2004-12-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg.Med.Chem.Lett., 15, 2005
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1Y91
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![BU of 1y91 by Molmil](/molmil-images/mine/1y91) | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | Deposit date: | 2004-12-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg.Med.Chem.Lett., 15, 2005
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3E78
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![BU of 3e78 by Molmil](/molmil-images/mine/3e78) | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37 | Descriptor: | CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ... | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R. | Deposit date: | 2008-08-18 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37. Acta Crystallogr.,Sect.D, 64, 2008
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2BRN
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![BU of 2brn by Molmil](/molmil-images/mine/2brn) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-09 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2BRO
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![BU of 2bro by Molmil](/molmil-images/mine/2bro) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-09 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
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2CGV
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![BU of 2cgv by Molmil](/molmil-images/mine/2cgv) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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