2XNI
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![BU of 2xni by Molmil](/molmil-images/mine/2xni) | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | Deposit date: | 2010-08-02 | Release date: | 2011-08-17 | Last modified: | 2012-09-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates. Bioorg.Med.Chem.Lett., 20, 2010
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4CB9
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![BU of 4cb9 by Molmil](/molmil-images/mine/4cb9) | Structure of full-length CTNNBL1 in P43212 space group | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1 | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | Deposit date: | 2013-10-10 | Release date: | 2013-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha FEBS Lett., 588, 2014
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2X38
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![BU of 2x38 by Molmil](/molmil-images/mine/2x38) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with IC87114. | Descriptor: | 2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2010-01-22 | Release date: | 2010-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2X6H
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![BU of 2x6h by Molmil](/molmil-images/mine/2x6h) | THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 | Descriptor: | PHOSPHOTIDYLINOSITOL 3 KINASE 59F | Authors: | Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L. | Deposit date: | 2010-02-17 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34. Science, 327, 2010
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2WXH
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![BU of 2wxh by Molmil](/molmil-images/mine/2wxh) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW14. | Descriptor: | 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2WXI
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![BU of 2wxi by Molmil](/molmil-images/mine/2wxi) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW30. | Descriptor: | 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, GLYCEROL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2WXN
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![BU of 2wxn by Molmil](/molmil-images/mine/2wxn) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with DL07. | Descriptor: | 3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2YMB
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![BU of 2ymb by Molmil](/molmil-images/mine/2ymb) | Structures of MITD1 | Descriptor: | CHARGED MULTIVESICULAR BODY PROTEIN 1A, MIT DOMAIN-CONTAINING PROTEIN 1 | Authors: | Hadders, M.A, Agromayor, M, Obita, T, Perisic, O, Caballe, A, Kloc, M, Lamers, M.H, Williams, R.L, Martin-Serrano, J. | Deposit date: | 2012-10-08 | Release date: | 2012-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | Escrt-III Binding Protein Mitd1 is Involved in Cytokinesis and Has an Unanticipated Pld Fold that Binds Membranes. Proc.Natl.Acad.Sci.USA, 109, 2012
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1P8A
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![BU of 1p8a by Molmil](/molmil-images/mine/1p8a) | |
1AM5
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3ZO2
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![BU of 3zo2 by Molmil](/molmil-images/mine/3zo2) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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4AC5
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![BU of 4ac5 by Molmil](/molmil-images/mine/4ac5) | Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R. | Deposit date: | 2011-12-14 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (8.2 Å) | Cite: | Lipidic Phase Membrane Protein Serial Femtosecond Crystallography. Nat.Methods, 9, 2012
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1RLW
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![BU of 1rlw by Molmil](/molmil-images/mine/1rlw) | |
4A20
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![BU of 4a20 by Molmil](/molmil-images/mine/4a20) | Crystal structure of the Ubl domain of Mdy2 (Get5) at 1.78A | Descriptor: | SULFATE ION, UBIQUITIN-LIKE PROTEIN MDY2 | Authors: | Simon, A.C, Simpson, P.J, Murray, J.W, Isaacson, R.L. | Deposit date: | 2011-09-21 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins Proc.Natl.Acad.Sci.USA, 110, 2013
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1Q2I
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![BU of 1q2i by Molmil](/molmil-images/mine/1q2i) | NMR SOLUTION STRUCTURE OF A PEPTIDE FROM THE MDM-2 BINDING DOMAIN OF THE P53 PROTEIN THAT IS SELECTIVELY CYTOTOXIC TO CANCER CELLS | Descriptor: | PNC27 | Authors: | Rosal, R, Pincus, M.R, Brandt-Rauf, P.W, Fine, R.L, Wang, H. | Deposit date: | 2003-07-24 | Release date: | 2004-03-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of a peptide from the mdm-2 binding domain of the p53 protein that is selectively cytotoxic to cancer cells Biochemistry, 43, 2004
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1DJE
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![BU of 1dje by Molmil](/molmil-images/mine/1dje) | CRYSTAL STRUCTURE OF THE PLP-BOUND FORM OF 8-AMINO-7-OXONANOATE SYNTHASE | Descriptor: | 8-AMINO-7-OXONANOATE SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Webster, S.P, Alexeev, D, Campopiano, D.J, Watt, R.M, Alexeeva, M, Sawyer, L, Baxter, R.L. | Deposit date: | 1999-12-02 | Release date: | 2000-12-04 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Mechanism of 8-amino-7-oxononanoate synthase: spectroscopic, kinetic, and crystallographic studies. Biochemistry, 39, 2000
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1D1Q
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![BU of 1d1q by Molmil](/molmil-images/mine/1d1q) | CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP | Descriptor: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Staufacher, C.V. | Deposit date: | 1999-09-20 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate. Biochemistry, 39, 2000
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1CEQ
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![BU of 1ceq by Molmil](/molmil-images/mine/1ceq) | CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE. | Descriptor: | PROTEIN (L-LACTATE DEHYDROGENASE) | Authors: | Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L. | Deposit date: | 1999-03-10 | Release date: | 1999-03-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase. J.Biol.Chem., 274, 1999
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4ASW
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![BU of 4asw by Molmil](/molmil-images/mine/4asw) | Structure of the complex between the N-terminal dimerisation domain of Sgt2 and the UBL domain of Get5 | Descriptor: | SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CONTAINING PROTEIN 2, UBIQUITIN-LIKE PROTEIN MDY2 | Authors: | Simon, A.C, Simpson, P.J, Goldstone, R.M, Krysztofinska, E.M, Murray, J.W, High, S, Isaacson, R.L. | Deposit date: | 2012-05-03 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins Proc.Natl.Acad.Sci.USA, 110, 2013
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4ASV
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![BU of 4asv by Molmil](/molmil-images/mine/4asv) | Solution structure of the N-terminal dimerisation domain of Sgt2 | Descriptor: | SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CONTAINING PROTEIN 2 | Authors: | Simon, A.C, Simpson, P.J, Goldstone, R.M, Krysztofinska, E.M, Murray, J.W, High, S, Isaacson, R.L. | Deposit date: | 2012-05-03 | Release date: | 2013-01-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins Proc.Natl.Acad.Sci.USA, 110, 2013
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4CUK
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1C0E
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![BU of 1c0e by Molmil](/molmil-images/mine/1c0e) | Active Site S19A Mutant of Bovine Heart Phosphotyrosyl Phosphatase | Descriptor: | PHOSPHATE ION, PROTEIN (TYROSINE PHOSPHATASE (ORTHOPHOSPHORIC MONOESTER PHOSPHOHYDROLASE)) | Authors: | Tabernero, L, Evans, B.N, Tishmack, P.A, Van Etten, R.L, Stauffacher, C.V. | Deposit date: | 1999-07-15 | Release date: | 1999-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of the bovine protein tyrosine phosphatase dimer reveals a potential self-regulation mechanism. Biochemistry, 38, 1999
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4BPW
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![BU of 4bpw by Molmil](/molmil-images/mine/4bpw) | Crystal structure of human primase bound to UTP | Descriptor: | DNA PRIMASE LARGE SUBUNIT, DNA PRIMASE SMALL SUBUNIT, MAGNESIUM ION, ... | Authors: | Kilkenny, M.L, Perera, R.L, Pellegrini, L. | Deposit date: | 2013-05-28 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structures of Human Primase Reveal Design of Nucleotide Elongation Site and Mode of Pol Alpha Tethering Proc.Natl.Acad.Sci.USA, 110, 2013
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1BWC
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![BU of 1bwc by Molmil](/molmil-images/mine/1bwc) | STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED with AJOENE INHIBITOR AND SUBVERSIVE SUBSTRATE | Descriptor: | 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Gallwitz, H, Bonse, S, Martinez-Cruz, A, Schlichting, I, Schumacher, K, Krauth-Siegel, R.L. | Deposit date: | 1998-09-23 | Release date: | 1999-07-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ajoene is an inhibitor and subversive substrate of human glutathione reductase and Trypanosoma cruzi trypanothione reductase: crystallographic, kinetic, and spectroscopic studies. J.Med.Chem., 42, 1999
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4D9T
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![BU of 4d9t by Molmil](/molmil-images/mine/4d9t) | Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | Deposit date: | 2012-01-12 | Release date: | 2012-04-25 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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