2VTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vtr by Molmil](/molmil-images/mine/2vtr) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
|
|
8UP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8up3 by Molmil](/molmil-images/mine/8up3) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F) | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, Asparaginase, ... | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-20 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
|
|
2YKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ykt by Molmil](/molmil-images/mine/2ykt) | Crystal structure of the I-BAR domain of IRSp53 (BAIAP2) in complex with an EHEC derived Tir peptide | Descriptor: | BRAIN-SPECIFIC ANGIOGENESIS INHIBITOR 1-ASSOCIATED PROTEIN 2, SULFATE ION, TRANSLOCATED INTIMIN RECEPTOR PROTEIN | Authors: | de Groot, J.C, Schlueter, K, Carius, Y, Quedenau, C, Vingadassalom, D, Faix, J, Weiss, S.M, Reichelt, J, Standfuss-Gabisch, C, Lesser, C.F, Leong, J.M, Heinz, D.W, Buessow, K, Stradal, T.E.B. | Deposit date: | 2011-05-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural Basis for Complex Formation between Human Irsp53 and the Translocated Intimin Receptor Tir of Enterohemorrhagic E. Coli. Structure, 19, 2011
|
|
8UPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8upc by Molmil](/molmil-images/mine/8upc) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K158M) | Descriptor: | Asparaginase, CHLORIDE ION, GLYCEROL | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
|
|
2YNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ynf by Molmil](/molmil-images/mine/2ynf) | HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
|
|
2VTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vtq by Molmil](/molmil-images/mine/2vtq) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
|
|
2YOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yoh by Molmil](/molmil-images/mine/2yoh) | Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | Descriptor: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2012-10-24 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
|
|
2YPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ypb by Molmil](/molmil-images/mine/2ypb) | Structure of the SCL:E47 complex bound to DNA | Descriptor: | EBOX FORWARD, EBOX REVERSE, T-CELL ACUTE LYMPHOCYTIC LEUKEMIA PROTEIN 1, ... | Authors: | El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J. | Deposit date: | 2012-10-30 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets. Cell Rep., 4, 2013
|
|
2VTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vti by Molmil](/molmil-images/mine/2vti) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
|
|
2BN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bn5 by Molmil](/molmil-images/mine/2bn5) | P-Element Somatic Inhibitor Protein Complex with U1-70k proline-rich peptide | Descriptor: | PSI, U1 SMALL NUCLEAR RIBONUCLEOPROTEIN 70 KDA | Authors: | Ignjatovic, T, Yang, J.-C, Butler, P.J.G, Neuhaus, D, Nagai, K. | Deposit date: | 2005-03-21 | Release date: | 2005-07-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of the Interaction between P-Element Somatic Inhibitor and U1-70K Essential for the Alternative Splicing of P-Element Transposase. J.Mol.Biol., 351, 2005
|
|
2YMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ymp by Molmil](/molmil-images/mine/2ymp) | Chloroacetic acid complex bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium | Descriptor: | L-HALOACID DEHALOGENASE | Authors: | Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A. | Deposit date: | 2012-10-10 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water. FEBS J., 280, 2013
|
|
2BTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bto by Molmil](/molmil-images/mine/2bto) | Structure of BtubA from Prosthecobacter dejongeii | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, THIOREDOXIN 1, TUBULIN BTUBA | Authors: | Schlieper, D, Lowe, J. | Deposit date: | 2005-06-04 | Release date: | 2005-06-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Bacterial Tubulin Btuba/B: Evidence for Horizontal Gene Transfer. Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
8UP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8up6 by Molmil](/molmil-images/mine/8up6) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) in complex with L-Asp | Descriptor: | ASPARTIC ACID, Asparaginase, TETRAETHYLENE GLYCOL | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
|
|
2BUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bug by Molmil](/molmil-images/mine/2bug) | Solution structure of the TPR domain from Protein phosphatase 5 in complex with Hsp90 derived peptide | Descriptor: | HSP90, SERINE/THREONINE PROTEIN PHOSPHATASE 5 | Authors: | Cliff, M.J, Harris, R, Barford, D, Ladbury, J.E, Williams, M.A. | Deposit date: | 2005-06-13 | Release date: | 2006-03-16 | Last modified: | 2020-01-15 | Method: | SOLUTION NMR | Cite: | Conformational Diversity in the Tpr Domain-Mediated Interaction of Protein Phosphatase 5 with Hsp90. Structure, 14, 2006
|
|
2BVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvt by Molmil](/molmil-images/mine/2bvt) | The structure of a modular endo-beta-1,4-mannanase from Cellulomonas fimi explains the product specificity of glycoside hydrolase family 26 mannanases. | Descriptor: | BETA-1,4-MANNANASE, CACODYLATE ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Le Nours, J, Anderson, L, Stoll, D, Stalbrand, H, Lo Leggio, L. | Deposit date: | 2005-07-04 | Release date: | 2005-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi Biochemistry, 44, 2005
|
|
8UK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uk6 by Molmil](/molmil-images/mine/8uk6) | |
2BVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvr by Molmil](/molmil-images/mine/2bvr) | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | Descriptor: | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 | Authors: | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | Deposit date: | 2005-07-04 | Release date: | 2006-10-25 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
|
|
2C0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c0n by Molmil](/molmil-images/mine/2c0n) | Crystal Structure of A197 from STIV | Descriptor: | 1,4-DIETHYLENE DIOXIDE, A197, NICKEL (II) ION, ... | Authors: | Larson, E.T, Reiter, D, Young, M, Lawrence, C.M. | Deposit date: | 2005-09-06 | Release date: | 2005-09-29 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of A197 from Sulfolobus Turreted Icosahedral Virus: A Crenarchaeal Viral Glycosyltransferase Exhibiting the Gt-A Fold. J.Virol., 80, 2006
|
|
2YNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yni by Molmil](/molmil-images/mine/2yni) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-15 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
|
|
4CHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4chd by Molmil](/molmil-images/mine/4chd) | Crystal structure of the '627' domain of the PB2 subunit of Thogoto virus polymerase | Descriptor: | POLYMERASE ACIDIC PROTEIN | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2013-12-01 | Release date: | 2014-02-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains. Plos One, 9, 2014
|
|
8UOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uoo by Molmil](/molmil-images/mine/8uoo) | Structure of atypical asparaginase from Rhodospirillum rubrum | Descriptor: | Asparaginase, CHLORIDE ION, GLYCEROL | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-20 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
|
|
8A85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a85 by Molmil](/molmil-images/mine/8a85) | |
8VGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vgt by Molmil](/molmil-images/mine/8vgt) | |
8UP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8up7 by Molmil](/molmil-images/mine/8up7) | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) | Descriptor: | Asparaginase, CHLORIDE ION | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | Deposit date: | 2023-10-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases. Protein Sci., 33, 2024
|
|
2YNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yng by Molmil](/molmil-images/mine/2yng) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
|
|