4LEA
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![BU of 4lea by Molmil](/molmil-images/mine/4lea) | The Crystal Structure of Pyocin L1 bound to D-mannose at 2.55 Angstroms | Descriptor: | Pyocin L1, beta-D-mannopyranose | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, C.J, Walker, D. | Deposit date: | 2013-06-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor. Plos Pathog., 10, 2014
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3ZO4
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![BU of 3zo4 by Molmil](/molmil-images/mine/3zo4) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-PHENYL-1,9-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 (1.65 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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4LH8
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![BU of 4lh8 by Molmil](/molmil-images/mine/4lh8) | Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | Descriptor: | Triazine hydrolase, ZINC ION | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | Deposit date: | 2013-07-01 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
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3ZPL
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![BU of 3zpl by Molmil](/molmil-images/mine/3zpl) | Crystal structure of Sco3205, a MarR family transcriptional regulator from Streptomyces coelicolor, in complex with DNA | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*TP*GP*AP*GP*AP*TP*CP*TP *CP*AP*AP*TP*CP*TP*TP*DT)-3', PHOSPHATE ION, PUTATIVE MARR-FAMILY TRANSCRIPTIONAL REPRESSOR | Authors: | Stevenson, C.E.M, Assaad, A, Lawson, D.M. | Deposit date: | 2013-02-28 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigation of DNA Sequence Recognition by a Streptomycete Marr Family Transcriptional Regulator Through Surface Plasmon Resonance and X-Ray Crystallography. Nucleic Acids Res., 41, 2013
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3ZON
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![BU of 3zon by Molmil](/molmil-images/mine/3zon) | Human TYK2 pseudokinase domain bound to a kinase inhibitor | Descriptor: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2 | Authors: | Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-02-22 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor To be Published
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3ZOU
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![BU of 3zou by Molmil](/molmil-images/mine/3zou) | Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound fragment SPB02696, and substrate geranyl pyrophosphate. | Descriptor: | 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid, DIMETHYL SULFOXIDE, FARNESYL PYROPHOSPHATE SYNTHASE, ... | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | Deposit date: | 2013-02-25 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of Substrate and Inhibitor Binding to Farnesyl Pyrophosphate Synthase from Pseudomonas Aeruginosa Acta Crystallogr.,Sect.D, 71, 2015
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6FUJ
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![BU of 6fuj by Molmil](/molmil-images/mine/6fuj) | Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide | Descriptor: | Complement factor D, ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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6FUT
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![BU of 6fut by Molmil](/molmil-images/mine/6fut) | Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide | Descriptor: | 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID | Authors: | Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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6FTY
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![BU of 6fty by Molmil](/molmil-images/mine/6fty) | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 | Descriptor: | 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL | Authors: | Ostermann, N. | Deposit date: | 2018-02-26 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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3ZL9
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![BU of 3zl9 by Molmil](/molmil-images/mine/3zl9) | Crystal structure of the nucleocapsid protein from Schmallenberg virus | Descriptor: | NUCLEOCAPSID PROTEIN | Authors: | Ariza, A, Tanner, S.J, Walter, C.T, Dent, K.C, Shepherd, D.A, Wu, W, Matthews, S.V, Hiscox, J.A, Green, T.J, Luo, M, Elliot, R.M, Ashcroft, A.E, Stonehouse, N.J, Ranson, N.A, Barr, J.N, Edwards, T.A. | Deposit date: | 2013-01-29 | Release date: | 2013-05-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Nucleocapsid Protein Structures from Orthobunyaviruses Reveal Insight Into Ribonucleoprotein Architecture and RNA Polymerization. Nucleic Acids Res., 41, 2013
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3ZLA
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![BU of 3zla by Molmil](/molmil-images/mine/3zla) | Crystal structure of the nucleocapsid protein from Bunyamwera virus bound to RNA | Descriptor: | NUCLEOPROTEIN, RNA | Authors: | Ariza, A, Tanner, S.J, Walter, C.T, Dent, K.C, Shepherd, D.A, Wu, W, Matthews, S.V, Hiscox, J.A, Green, T.J, Luo, M, Elliot, R.M, Ashcroft, A.E, Stonehouse, N.J, Ranson, N.A, Barr, J.N, Edwards, T.A. | Deposit date: | 2013-01-29 | Release date: | 2013-05-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Nucleocapsid Protein Structures from Orthobunyaviruses Reveal Insight Into Ribonucleoprotein Architecture and RNA Polymerization. Nucleic Acids Res., 41, 2013
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4L0M
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![BU of 4l0m by Molmil](/molmil-images/mine/4l0m) | |
3X1Y
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![BU of 3x1y by Molmil](/molmil-images/mine/3x1y) | Ras-related protein Rap1B(L9V) with GppNHp | Descriptor: | CADMIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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6G3V
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![BU of 6g3v by Molmil](/molmil-images/mine/6g3v) | Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine | Descriptor: | Carbonic anhydrase 1, GLYCEROL, ZINC ION, ... | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | Deposit date: | 2018-03-26 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases. ACS Med Chem Lett, 9, 2018
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3ZOT
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![BU of 3zot by Molmil](/molmil-images/mine/3zot) | Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 (data set 2) | Descriptor: | CHLORIDE ION, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, ... | Authors: | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | Deposit date: | 2013-02-24 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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4LHN
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![BU of 4lhn by Molmil](/molmil-images/mine/4lhn) | |
4AKH
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![BU of 4akh by Molmil](/molmil-images/mine/4akh) | Dynein Motor Domain - AMPPNP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, DYNEIN HEAVY CHAIN CYTOPLASMIC, ... | Authors: | Schmidt, H, Gleave, E.S, Carter, A.P. | Deposit date: | 2012-02-22 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure Nat.Struct.Mol.Biol., 19, 2012
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4L5N
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![BU of 4l5n by Molmil](/molmil-images/mine/4l5n) | Crystallographic Structure of HHV-1 Uracil-DNA Glycosylase complexed with the Bacillus phage PZA inhibitor protein p56 | Descriptor: | ACETATE ION, Early protein GP1B, Uracil-DNA glycosylase | Authors: | Cole, A.R, Sapir, O, Ryzhenkova, K, Baltulionis, G, Hornyak, P, Savva, R. | Deposit date: | 2013-06-11 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Architecturally diverse proteins converge on an analogous mechanism to inactivate Uracil-DNA glycosylase. Nucleic Acids Res., 41, 2013
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4L9X
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![BU of 4l9x by Molmil](/molmil-images/mine/4l9x) | Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | Descriptor: | ACETATE ION, Triazine hydrolase | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | Deposit date: | 2013-06-18 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
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6FUI
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![BU of 6fui by Molmil](/molmil-images/mine/6fui) | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | Descriptor: | (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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4NQC
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![BU of 4nqc by Molmil](/molmil-images/mine/4nqc) | Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2013-11-25 | Release date: | 2014-04-16 | Last modified: | 2014-11-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways. Nature, 509, 2014
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4NQJ
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![BU of 4nqj by Molmil](/molmil-images/mine/4nqj) | Structure of coiled-coil domain | Descriptor: | DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69 | Authors: | Yang, M, Li, Y. | Deposit date: | 2013-11-25 | Release date: | 2014-05-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Structural insights into the TRIM family of ubiquitin E3 ligases. Cell Res., 24, 2014
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6GVF
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![BU of 6gvf by Molmil](/molmil-images/mine/6gvf) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | Descriptor: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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4MRV
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![BU of 4mrv by Molmil](/molmil-images/mine/4mrv) | Structure of a bacterial Atm1-family ABC transporter | Descriptor: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION, ... | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | Deposit date: | 2013-09-17 | Release date: | 2014-03-19 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter. Science, 343, 2014
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6FUG
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![BU of 6fug by Molmil](/molmil-images/mine/6fug) | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | Descriptor: | 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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