1X6X
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1V1K
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![BU of 1v1k by Molmil](/molmil-images/mine/1v1k) | CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR | Descriptor: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2004-04-16 | Release date: | 2004-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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1STS
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![BU of 1sts by Molmil](/molmil-images/mine/1sts) | STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE FCHPQNT-NH2 DIMER | Descriptor: | FCHPQNT-NH2, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N. | Deposit date: | 1995-09-12 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Topochemical catalysis achieved by structure-based ligand design. J.Biol.Chem., 270, 1995
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1STR
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![BU of 1str by Molmil](/molmil-images/mine/1str) | STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE AC-CHPQNT-NH2 DIMER | Descriptor: | AC-CHPQNT-NH2, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N. | Deposit date: | 1995-09-12 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Topochemical catalysis achieved by structure-based ligand design. J.Biol.Chem., 270, 1995
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1TN9
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2HDD
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![BU of 2hdd by Molmil](/molmil-images/mine/2hdd) | ENGRAILED HOMEODOMAIN Q50K VARIANT DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*CP*CP*GP*GP*GP*GP*AP*TP*TP*AP*CP*AP*TP*GP*G P*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*CP*CP*C P*CP*GP*GP*A)-3'), PROTEIN (ENGRAILED HOMEODOMAIN Q50K) | Authors: | Tucker-Kellogg, L, Rould, M.A, Chambers, K.A, Ades, S.E, Sauer, R.T, Pabo, C.O. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engrailed (Gln50-->Lys) homeodomain-DNA complex at 1.9 A resolution: structural basis for enhanced affinity and altered specificity. Structure, 5, 1997
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1U24
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![BU of 1u24 by Molmil](/molmil-images/mine/1u24) | Crystal structure of Selenomonas ruminantium phytase | Descriptor: | myo-inositol hexaphosphate phosphohydrolase | Authors: | Chu, H.M, Guo, R.T, Lin, T.W, Chou, C.C, Shr, H.L, Lai, H.L, Tang, T.Y, Cheng, K.J, Selinger, B.L, Wang, A.H.-J. | Deposit date: | 2004-07-16 | Release date: | 2004-11-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Selenomonas ruminantium Phytase in Complex with Persulfated Phytate; DSP Phytase Fold and Mechanism for Sequential Substrate Hydrolysis STRUCTURE, 12, 2004
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1X6Z
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1X6R
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1XN2
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![BU of 1xn2 by Molmil](/molmil-images/mine/1xn2) | New substrate binding pockets for beta-secretase. | Descriptor: | Beta-secretase 1, OM03-4 | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | Deposit date: | 2004-10-04 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
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1X6Y
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1X6P
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1X6Q
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1XN3
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![BU of 1xn3 by Molmil](/molmil-images/mine/1xn3) | Crystal structure of Beta-secretase bound to a long inhibitor with additional upstream residues. | Descriptor: | Beta-secretase 1, Peptidic inhibitor | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | Deposit date: | 2004-10-04 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry, 44, 2005
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1XOW
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![BU of 1xow by Molmil](/molmil-images/mine/1xow) | Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881 | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor, decamer fragment of androgen receptor | Authors: | He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M. | Deposit date: | 2004-10-07 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance Mol.Cell, 16, 2004
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2XO1
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![BU of 2xo1 by Molmil](/molmil-images/mine/2xo1) | xpt-pbuX C74U Riboswitch from B. subtilis bound to N6-methyladenine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | Deposit date: | 2010-08-09 | Release date: | 2011-04-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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2YAC
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![BU of 2yac by Molmil](/molmil-images/mine/2yac) | Crystal structure of Polo-like kinase 1 in complex with NMS-P937 | Descriptor: | 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | Authors: | Bertrand, J.A, Bossi, R.T. | Deposit date: | 2011-02-18 | Release date: | 2011-04-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2WCC
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![BU of 2wcc by Molmil](/molmil-images/mine/2wcc) | phage lambda IntDBD1-64 complex with p prime 2 DNA | Descriptor: | DNA (5'-D(*DCP*DGP*DAP*DGP*DTP*DCP*DAP *DAP*DAP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DTP*DTP*DTP*DGP *DAP*DCP*DTP*DGP*DC)-3'), INTEGRASE | Authors: | Fadeev, E.A, Sam, M.D, Clubb, R.T. | Deposit date: | 2009-03-11 | Release date: | 2009-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of the Amino-Terminal Domain of the Lambda Integrase Protein in Complex with DNA: Immobilization of a Flexible Tail Facilitates Beta- Sheet Recognition of the Major Groove. J.Mol.Biol., 388, 2009
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2W2O
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![BU of 2w2o by Molmil](/molmil-images/mine/2w2o) | PCSK9-deltaC D374Y mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2W2Q
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![BU of 2w2q by Molmil](/molmil-images/mine/2w2q) | PCSK9-deltaC D374H mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2YIW
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![BU of 2yiw by Molmil](/molmil-images/mine/2yiw) | triazolopyridine inhibitors of p38 kinase | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefamiak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2XEU
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![BU of 2xeu by Molmil](/molmil-images/mine/2xeu) | Ring domain | Descriptor: | RING FINGER PROTEIN 4, SULFATE ION, ZINC ION, ... | Authors: | Plechanovova, A, McMahon, S.A, Johnson, K.A, Navratilova, I, Naismith, J.H, Hay, R.T. | Deposit date: | 2010-05-18 | Release date: | 2010-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanism of Ubiquitylation by Dimeric Ring Ligase Rnf4 Nat.Struct.Mol.Biol., 18, 2011
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2X9E
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![BU of 2x9e by Molmil](/molmil-images/mine/2x9e) | HUMAN MPS1 IN COMPLEX WITH NMS-P715 | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | Authors: | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | Deposit date: | 2010-03-17 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase. Cancer Res., 70, 2010
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2W2P
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![BU of 2w2p by Molmil](/molmil-images/mine/2w2p) | PCSK9-deltaC D374A mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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