1WBW
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![BU of 1wbw by Molmil](/molmil-images/mine/1wbw) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | Descriptor: | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | Deposit date: | 2004-11-05 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation J.Med.Chem., 48, 2005
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6ZJ2
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![BU of 6zj2 by Molmil](/molmil-images/mine/6zj2) | Structure of RcsB from Salmonella enterica serovar Typhimurium bound to promoter rprA in the presence of phosphomimetic BeF3- | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA (5'-D(P*CP*CP*GP*AP*TP*CP*AP*GP*AP*TP*TP*CP*GP*TP*CP*TP*CP*AP*AP*TP*AP*GP*G)-3'), MAGNESIUM ION, ... | Authors: | Huesa, J, Marina, A, Casino, P. | Deposit date: | 2020-06-27 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon. Nucleic Acids Res., 49, 2021
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6G17
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![BU of 6g17 by Molmil](/molmil-images/mine/6g17) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6ZII
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6TCY
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![BU of 6tcy by Molmil](/molmil-images/mine/6tcy) | |
6G4P
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![BU of 6g4p by Molmil](/molmil-images/mine/6g4p) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6Z8G
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![BU of 6z8g by Molmil](/molmil-images/mine/6z8g) | Crystal structure of VSG13 soaked in 0.5 M used to phase VSG13 to solve the structure. | Descriptor: | BROMIDE ION, SULFATE ION, Variant surface glycoprotein MITat 1.13, ... | Authors: | Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J. | Deposit date: | 2020-06-02 | Release date: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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6Z8H
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![BU of 6z8h by Molmil](/molmil-images/mine/6z8h) | Crystal structure of Variant Surface Glycoprotein VSG13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variant surface glycoprotein MITat 1.13, ... | Authors: | Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J. | Deposit date: | 2020-06-02 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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1WBV
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![BU of 1wbv by Molmil](/molmil-images/mine/1wbv) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | Descriptor: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | Deposit date: | 2004-11-05 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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6TQU
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![BU of 6tqu by Molmil](/molmil-images/mine/6tqu) | The crystal structure of the MSP domain of human MOSPD2 in complex with the Phospho-FFAT motif of STARD3. | Descriptor: | Motile sperm domain-containing protein 2, SULFATE ION, StAR-related lipid transfer protein 3 | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | Deposit date: | 2019-12-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts. Embo J., 39, 2020
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6THC
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![BU of 6thc by Molmil](/molmil-images/mine/6thc) | Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone | Descriptor: | (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone, ACETATE ION, CALCIUM ION, ... | Authors: | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun, 12, 2021
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4V34
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![BU of 4v34 by Molmil](/molmil-images/mine/4v34) | The Structure of A-PGS from Pseudomonas aeruginosa (SeMet derivative) | Descriptor: | ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CHLORIDE ION, SULFATE ION | Authors: | Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J. | Deposit date: | 2014-10-16 | Release date: | 2015-08-19 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine. Proc.Natl.Acad.Sci.USA, 112, 2015
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6TM0
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![BU of 6tm0 by Molmil](/molmil-images/mine/6tm0) | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | Deposit date: | 2019-12-03 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun, 11, 2020
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6TPA
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![BU of 6tpa by Molmil](/molmil-images/mine/6tpa) | CDK8/CyclinC in complex with drug ETP-50775 | Descriptor: | (2~{R})-butane-1,2-diol, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea, Cyclin-C, ... | Authors: | Munoz, I.G, Pastor, J, Martinez, S. | Deposit date: | 2019-12-12 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors. Eur.J.Med.Chem., 201, 2020
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6ZK7
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![BU of 6zk7 by Molmil](/molmil-images/mine/6zk7) | Crystal Structure of human PYROXD1/FAD complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1 | Authors: | Meinhart, A, Asanovic, I, Martinez, J, Clausen, T. | Deposit date: | 2020-06-30 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The oxidoreductase PYROXD1 uses NAD(P) + as an antioxidant to sustain tRNA ligase activity in pre-tRNA splicing and unfolded protein response. Mol.Cell, 81, 2021
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6TQR
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![BU of 6tqr by Molmil](/molmil-images/mine/6tqr) | The crystal structure of the MSP domain of human VAP-A in complex with the Phospho-FFAT motif of STARD3. | Descriptor: | CHLORIDE ION, StAR-related lipid transfer protein 3, Vesicle-associated membrane protein-associated protein A | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | Deposit date: | 2019-12-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts. Embo J., 39, 2020
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6TRU
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6TQT
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![BU of 6tqt by Molmil](/molmil-images/mine/6tqt) | The crystal structure of the MSP domain of human MOSPD2. | Descriptor: | 1,2-ETHANEDIOL, Motile sperm domain-containing protein 2, PHOSPHATE ION | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | Deposit date: | 2019-12-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts. Embo J., 39, 2020
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1WNO
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![BU of 1wno by Molmil](/molmil-images/mine/1wno) | Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | Authors: | Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z. | Deposit date: | 2004-08-07 | Release date: | 2005-03-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 To be Published
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6GK8
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![BU of 6gk8 by Molmil](/molmil-images/mine/6gk8) | Crystal structure of anti-tau antibody dmCBTAU-28.1, double mutant (S32R, E35K) of CBTAU-28.1, in complex with Tau peptide A7731 (residues 52-71) | Descriptor: | CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71) | Authors: | Steinbacher, S, Mrosek, M, Juraszek, J. | Deposit date: | 2018-05-18 | Release date: | 2018-06-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities. Acta Neuropathol Commun, 6, 2018
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2GAO
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![BU of 2gao by Molmil](/molmil-images/mine/2gao) | Crystal Structure of Human SAR1a in Complex With GDP | Descriptor: | GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | Authors: | Wang, J, Dimov, S, Tempel, W, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-09 | Release date: | 2006-03-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human SAR1a in Complex With GDP To be Published
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2GF9
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![BU of 2gf9 by Molmil](/molmil-images/mine/2gf9) | Crystal structure of human RAB3D in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-3D, ... | Authors: | Hong, B, Wang, J, Shen, L, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-21 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structure of human RAB3D in complex with GDP To be Published
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1WQO
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![BU of 1wqo by Molmil](/molmil-images/mine/1wqo) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1998-02-09 | Release date: | 1998-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQP
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![BU of 1wqp by Molmil](/molmil-images/mine/1wqp) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1998-02-09 | Release date: | 1998-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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1WQM
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![BU of 1wqm by Molmil](/molmil-images/mine/1wqm) | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kubota, M, Sumikawa, Y, Funahashi, J, Fujii, S, Yutani, K. | Deposit date: | 1998-02-09 | Release date: | 1998-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six tyrosine --> phenylalanine mutants. Biochemistry, 37, 1998
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