5DJC
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![BU of 5djc by Molmil](/molmil-images/mine/5djc) | Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F | Descriptor: | Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ... | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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4A31
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![BU of 4a31 by Molmil](/molmil-images/mine/4a31) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4JIE
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![BU of 4jie by Molmil](/molmil-images/mine/4jie) | Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL, ... | Authors: | Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R. | Deposit date: | 2013-03-05 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase Acta Crystallogr.,Sect.D, 69, 2013
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4A32
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![BU of 4a32 by Molmil](/molmil-images/mine/4a32) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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3P8D
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![BU of 3p8d by Molmil](/molmil-images/mine/3p8d) | Crystal structure of the second Tudor domain of human PHF20 (homodimer form) | Descriptor: | Medulloblastoma antigen MU-MB-50.72 | Authors: | Cui, G, Lee, J, Thompson, J.R, Botuyan, M.V, Mer, G. | Deposit date: | 2010-10-13 | Release date: | 2011-06-22 | Last modified: | 2012-09-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PHF20 is an effector protein of p53 double lysine methylation that stabilizes and activates p53. Nat.Struct.Mol.Biol., 19, 2012
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3LFB
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![BU of 3lfb by Molmil](/molmil-images/mine/3lfb) | Human p38 MAP Kinase in Complex with RL98 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3LMN
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![BU of 3lmn by Molmil](/molmil-images/mine/3lmn) | Oligomeric structure of the DUSP domain of human USP15 | Descriptor: | ACETIC ACID, FORMIC ACID, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Walker, J.R, Asinas, A, Avvakumov, G.V, Alenkin, D, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S. | Deposit date: | 2010-01-31 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Human Ubiquitin-Specific Protease 15 DUSP Domain To be Published
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4JIX
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![BU of 4jix by Molmil](/molmil-images/mine/4jix) | Crystal structure of the metallopeptidase zymogen of Methanocaldococcus jannaschii jannalysin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2013-03-07 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases J.Biol.Chem., 288, 2013
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3LQE
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![BU of 3lqe by Molmil](/molmil-images/mine/3lqe) | |
3LFA
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![BU of 3lfa by Molmil](/molmil-images/mine/3lfa) | Human p38 MAP Kinase in Complex with Dasatinib | Descriptor: | Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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4GCB
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![BU of 4gcb by Molmil](/molmil-images/mine/4gcb) | |
3PD7
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![BU of 3pd7 by Molmil](/molmil-images/mine/3pd7) | |
1QNY
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![BU of 1qny by Molmil](/molmil-images/mine/1qny) | X-ray refinement of D2O soaked crystal of concanavalin A | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb(Gilboa), A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography Acta Crystallogr.,Sect.D, 56, 2000
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3PPA
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![BU of 3ppa by Molmil](/molmil-images/mine/3ppa) | Structure of the Dusp-Ubl domains of Usp15 | Descriptor: | CITRIC ACID, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Walker, J.R, Asinas, A.E, Dong, A, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-24 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Dusp-Ubl Domains of the Ubiquitin-Specific Protease 15 To be Published
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3PFY
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![BU of 3pfy by Molmil](/molmil-images/mine/3pfy) | The catalytic domain of human OTUD5 | Descriptor: | DI(HYDROXYETHYL)ETHER, OTU domain-containing protein 5, SULFATE ION, ... | Authors: | Walker, J.R, Asinas, A.E, Crombet, L, Dong, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-29 | Release date: | 2010-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | The catalytic domain of human OTUD5 To be Published
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3PG3
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![BU of 3pg3 by Molmil](/molmil-images/mine/3pg3) | Human p38 MAP Kinase in Complex with RL182 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha To be Published
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3PG6
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![BU of 3pg6 by Molmil](/molmil-images/mine/3pg6) | The carboxyl terminal domain of human deltex 3-like | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase DTX3L, ... | Authors: | Walker, J.R, Obiero, J, Kania, J, Schuler, H, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-30 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fold of the conserved DTC domain in Deltex proteins. Proteins, 80, 2012
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4JIU
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![BU of 4jiu by Molmil](/molmil-images/mine/4jiu) | Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin | Descriptor: | GLYCEROL, Proabylysin, ZINC ION | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2013-03-07 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases J.Biol.Chem., 288, 2013
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2LEK
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![BU of 2lek by Molmil](/molmil-images/mine/2lek) | Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium target RpR325 | Descriptor: | Putative thiamin biosynthesis ThiS | Authors: | Ramelot, T.A, Cort, J.R, Lee, H, Wang, H, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Acton, T.B, Xiao, R, Swapna, G, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-06-16 | Release date: | 2011-06-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a Thiamine Biosynthesis (ThiS) Protein RPA3574 from Rhodopseudomonas palustris. Northeast Structural Genomics Consortium target RpR325 To be Published
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6UHK
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![BU of 6uhk by Molmil](/molmil-images/mine/6uhk) | Crystal Structure of C176 mGFP | Descriptor: | C176 mGFP | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | Deposit date: | 2019-09-27 | Release date: | 2020-03-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA-Directed Protein Packing within Single Crystals. Chem, 6, 2020
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2QKQ
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![BU of 2qkq by Molmil](/molmil-images/mine/2qkq) | Structure of the SAM Domain of Human Ephrin Type-B Receptor 4 | Descriptor: | CHLORIDE ION, Ephrin type-B receptor 4 | Authors: | Walker, J.R, Cuerrier, D, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-11 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAM Domain of Human Ephrin Type-B Receptor 4 (EPHB4) TO BE PUBLISHED
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2QOK
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![BU of 2qok by Molmil](/molmil-images/mine/2qok) | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:S768A triple mutant | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
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6UK2
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![BU of 6uk2 by Molmil](/molmil-images/mine/6uk2) | |
6UKG
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![BU of 6ukg by Molmil](/molmil-images/mine/6ukg) | HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2019-10-04 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom. Nucleic Acids Res., 48, 2020
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