1RLQ
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![BU of 1rlq by Molmil](/molmil-images/mine/1rlq) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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4A30
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![BU of 4a30 by Molmil](/molmil-images/mine/4a30) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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3QKS
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![BU of 3qks by Molmil](/molmil-images/mine/3qks) | Mre11 Rad50 binding domain bound to Rad50 | Descriptor: | DNA double-strand break repair protein mre11, DNA double-strand break repair rad50 ATPase | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
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4A8I
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![BU of 4a8i by Molmil](/molmil-images/mine/4a8i) | Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE | Authors: | Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D. | Deposit date: | 2011-11-21 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission To be Published
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1Q5H
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![BU of 1q5h by Molmil](/molmil-images/mine/1q5h) | Human dUTP Pyrophosphatase complex with dUDP | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase | Authors: | Mol, C.D, Harris, J.M, McIntosh, E.M, Tainer, J.A. | Deposit date: | 2003-08-07 | Release date: | 2003-08-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human dUTP pyrophosphatase: uracil recognition by a Beta hairpin and active sites formed by three separate subunits Structure, 4, 1996
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4AL6
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![BU of 4al6 by Molmil](/molmil-images/mine/4al6) | |
3PWI
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![BU of 3pwi by Molmil](/molmil-images/mine/3pwi) | Crystal structure of the mutant P34A of D-Glucarate dehydratase from Escherichia coli complexed with product 5-keto-4-deoxy-D-Glucarate | Descriptor: | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE, GLYCEROL, Glucarate dehydratase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-12-08 | Release date: | 2011-12-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2296 Å) | Cite: | Crystal structure of the mutant P34A of D-Glucarate dehydratase from Escherichia Coli complexed with product 5-keto-4-deoxy-D-Glucarate To be Published
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1Q5U
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![BU of 1q5u by Molmil](/molmil-images/mine/1q5u) | HUMAN DUTP PYROPHOSPHATASE | Descriptor: | dUTP pyrophosphatase | Authors: | Mol, C.D, Harris, J.M, Mcintosh, E.M, Tainer, J.A. | Deposit date: | 2003-08-11 | Release date: | 2003-08-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human dUTP Pyrophosphatase: Uracil Recognition by a Beta Hairpin and Active Sites Formed by Three Separate Subunits Structure, 4, 1996
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1PYX
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![BU of 1pyx by Molmil](/molmil-images/mine/1pyx) | GSK-3 Beta complexed with AMP-PNP | Descriptor: | Glycogen synthase kinase-3 beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | Deposit date: | 2003-07-09 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors J.Mol.Biol., 333, 2003
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5LXZ
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![BU of 5lxz by Molmil](/molmil-images/mine/5lxz) | |
4AXT
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![BU of 4axt by Molmil](/molmil-images/mine/4axt) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL, Control Experiment | Descriptor: | LYSOZYME C | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-06-14 | Release date: | 2012-10-24 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B0Z
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![BU of 4b0z by Molmil](/molmil-images/mine/4b0z) | Crystal structure of S. pombe Rpn12 | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN12, GLYCEROL, MONOTHIOGLYCEROL, ... | Authors: | Boehringer, J, Riedinger, C, Paraskevopoulos, K, Johnson, E.O.D, Lowe, E.D, Khoudian, C, Smith, D, Noble, M.E.M, Gordon, C, Endicott, J.A. | Deposit date: | 2012-07-06 | Release date: | 2012-09-12 | Last modified: | 2012-11-07 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Structural and Functional Characterisation of Rpn12 Identifies Residues Required for Rpn10 Proteasome Incorporation. Biochem.J., 448, 2012
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3PMV
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![BU of 3pmv by Molmil](/molmil-images/mine/3pmv) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... | Authors: | Maclean, J.K.F, Jamieson, C, Brown, C.I, Campbell, R.A, Gillen, K.J, Gillespie, J, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure based evolution of a novel series of positive modulators of the AMPA receptor. Bioorg.Med.Chem.Lett., 21, 2011
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1PTZ
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![BU of 1ptz by Molmil](/molmil-images/mine/1ptz) | Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2003-06-23 | Release date: | 2003-09-09 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization J.Mol.Biol., 332, 2003
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4AXR
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![BU of 4axr by Molmil](/molmil-images/mine/4axr) | CRYSTAL STRUCTURE OF thaumatin FROM A AUTO-HARVESTED CRYSTAL | Descriptor: | L(+)-TARTARIC ACID, THAUMATIN-1 | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-06-14 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B0D
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![BU of 4b0d by Molmil](/molmil-images/mine/4b0d) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL | Descriptor: | LYSOZYME C | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-07-02 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4BCF
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![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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3PVA
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![BU of 3pva by Molmil](/molmil-images/mine/3pva) | PENICILLIN V ACYLASE FROM B. SPHAERICUS | Descriptor: | PROTEIN (PENICILLIN V ACYLASE) | Authors: | Suresh, C.G, Pundle, A.V, Rao, K.N, Sivaraman, H, Brannigan, J.A, Mcvey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G. | Deposit date: | 1998-11-13 | Release date: | 1999-11-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members. Nat.Struct.Biol., 6, 1999
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4BCQ
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![BU of 4bcq by Molmil](/molmil-images/mine/4bcq) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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3PK7
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![BU of 3pk7 by Molmil](/molmil-images/mine/3pk7) | Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens with MG and Glycerol bound in the active site | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-11-11 | Release date: | 2011-11-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.642 Å) | Cite: | Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens with MG and Glycerol bound in the active site To be Published
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4AXU
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![BU of 4axu by Molmil](/molmil-images/mine/4axu) | CRYSTAL STRUCTURE OF THAUMATIN FROM AN AUTO-HARVESTED CRYSTAL, control experiment | Descriptor: | THAUMATIN-1 | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-06-14 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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1PW6
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![BU of 1pw6 by Molmil](/molmil-images/mine/1pw6) | Low Micromolar Small Molecule Inhibitor of IL-2 | Descriptor: | 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION | Authors: | Thanos, C.D, Randal, M, Wells, J.A. | Deposit date: | 2003-06-30 | Release date: | 2004-01-13 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent small-molecule binding to a dynamic hot spot on IL-2. J.Am.Chem.Soc., 125, 2003
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4B6C
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![BU of 4b6c by Molmil](/molmil-images/mine/4b6c) | Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide | Descriptor: | 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION | Authors: | Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S. | Deposit date: | 2012-08-09 | Release date: | 2013-01-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis. ACS Chem. Biol., 8, 2013
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4B1G
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![BU of 4b1g by Molmil](/molmil-images/mine/4b1g) | Structure of unliganded human PARG catalytic domain | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, SULFATE ION | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | Deposit date: | 2012-07-10 | Release date: | 2012-12-19 | Last modified: | 2013-01-16 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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1Q2Z
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![BU of 1q2z by Molmil](/molmil-images/mine/1q2z) | The 3D solution structure of the C-terminal region of Ku86 | Descriptor: | ATP-dependent DNA helicase II, 80 kDa subunit | Authors: | Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C. | Deposit date: | 2003-07-28 | Release date: | 2004-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR) J.Mol.Biol., 335, 2004
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