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5AFK
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BU of 5afk by Molmil
alpha7-AChBP in complex with lobeline and fragment 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ...
Authors:Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
Deposit date:2015-01-22
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
3O4W
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BU of 3o4w by Molmil
Crystal structure of dimeric KlHxk1 in crystal form IV
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ...
Authors:Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
Deposit date:2010-07-27
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
2VKT
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BU of 2vkt by Molmil
HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN
Descriptor: CTP SYNTHASE 2
Authors:Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-12-28
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
4ONG
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BU of 4ong by Molmil
Fab fragment of 3D6 in complex with amyloid beta 1-40
Descriptor: 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein, ...
Authors:Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S.
Deposit date:2014-01-28
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab.
Alzheimers Res Ther, 6, 2014
2P3B
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BU of 2p3b by Molmil
Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor
Descriptor: benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease
Authors:Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I.
Deposit date:2007-03-08
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
3RNJ
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BU of 3rnj by Molmil
Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
Descriptor: 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ...
Authors:Simister, P.C, Barilari, M, Muniz, J.R.C, Dente, L, Knapp, S, von Delft, F, Filippakopoulos, P, Vollmar, M, Chaikuad, A, Raynor, J, Tregubova, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2011-04-22
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
To be Published
6XSJ
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BU of 6xsj by Molmil
X-ray structure of a monoclinic form of alpha amylase from Aspergillus at 1.4 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McPherson, A.
Deposit date:2020-07-15
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
2P9W
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BU of 2p9w by Molmil
Crystal Structure of the Major Malassezia sympodialis Allergen Mala s 1
Descriptor: CHLORIDE ION, GLYCEROL, Mal s 1 allergenic protein, ...
Authors:Vilhelmsson, M, Zargari, A, Crameri, R, Rasool, O, Achour, A, Scheynius, A, Hallberg, B.M.
Deposit date:2007-03-26
Release date:2007-05-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of the Major Malassezia sympodialis Allergen Mala s 1 Reveals a beta-Propeller Fold: A Novel Fold Among Allergens.
J.Mol.Biol., 369, 2007
2VKA
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BU of 2vka by Molmil
Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus eryngii Versatile Peroxidase
Descriptor: CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ruiz-Duenas, F.J, Morales, M, Mate, M.J, Romero, A, Martinez, M.J, Smith, A, Martinez, A.T.
Deposit date:2007-12-18
Release date:2008-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus Eryngii Versatile Peroxidase
Biochemistry, 47, 2008
5NX2
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BU of 5nx2 by Molmil
Crystal structure of thermostabilised full-length GLP-1R in complex with a truncated peptide agonist at 3.7 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon-like peptide 1 receptor, ...
Authors:Rappas, M, Jazayeri, A, Brown, A.J.H, Kean, J, Errey, J.C, Robertson, N, Fiez-Vandal, C, Andrews, S.P, Congreve, M, Bortolato, A, Mason, J.S, Baig, A.H, Teobald, I, Dore, A.S, Weir, M, Cooke, R.M, Marshall, F.H.
Deposit date:2017-05-09
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of the GLP-1 receptor bound to a peptide agonist.
Nature, 546, 2017
2W5O
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BU of 2w5o by Molmil
Complex structure of the GH93 alpha-L-arabinofuranosidase of Fusarium graminearum with arabinobiose
Descriptor: 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Carapito, R, Imberty, A, Jeltsch, J.M, Byrns, S.C, Tam, P.H, Lowary, T.L, Varrot, A, Phalip, V.
Deposit date:2008-12-11
Release date:2009-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Basis of Arabinobio-Hydrolase Activity in Phytopathogenic Fungi. Crystal Structure and Catalytic Mechanism of Fusarium Graminearum Gh93 Exo-Alpha-L-Arabinanase.
J.Biol.Chem., 284, 2009
3PUD
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BU of 3pud by Molmil
Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
Descriptor: Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION
Authors:Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2010-12-04
Release date:2010-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
To be Published
4MC6
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BU of 4mc6 by Molmil
HIV protease in complex with SA499
Descriptor: 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ...
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
2W31
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BU of 2w31 by Molmil
globin domain of Geobacter sulfurreducens globin-coupled sensor
Descriptor: GLOBIN, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pesce, A, Thijs, L, Nardini, M, Desmet, F, Sisinni, L, Gourlay, L, Bolli, A, Coletta, M, Van Doorslaer, S, Wan, X, Alam, M, Ascenzi, P, Moens, L, Bolognesi, M, Dewilde, S.
Deposit date:2008-11-05
Release date:2009-01-13
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hise11 and Hisf8 Provide Bis-Histidyl Heme Hexa-Coordination in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor.
J.Mol.Biol., 386, 2009
4MD2
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BU of 4md2 by Molmil
Ground state of bacteriorhodopsin from Halobacterium salinarum
Descriptor: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ...
Authors:Borshchevskiy, V, Erofeev, I, Round, E, Weik, M, Ishchenko, A, Gushchin, I, Mishin, A, Bueldt, G, Gordeliy, V.
Deposit date:2013-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Low-dose X-ray radiation induces structural alterations in proteins.
Acta Crystallogr.,Sect.D, 70, 2014
2VRH
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BU of 2vrh by Molmil
Structure of the E. coli trigger factor bound to a translating ribosome
Descriptor: 50S RIBOSOMAL PROTEIN L23, 50S RIBOSOMAL PROTEIN L24, 50S RIBOSOMAL PROTEIN L29, ...
Authors:Merz, F, Boehringer, D, Schaffitzel, C, Preissler, S, Hoffmann, A, Maier, T, Rutkowska, A, Lozza, J, Ban, N, Bukau, B, Deuerling, E.
Deposit date:2008-04-07
Release date:2008-06-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (19 Å)
Cite:Molecular Mechanism and Structure of Trigger Factor Bound to the Translating Ribosome.
Embo J., 27, 2008
2HHL
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BU of 2hhl by Molmil
Crystal structure of the human small CTD phosphatase 3 isoform 1
Descriptor: 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein
Authors:Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-06-28
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
2VUZ
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BU of 2vuz by Molmil
Crystal structure of Codakine in complex with biantennary nonasaccharide at 1.7A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CODAKINE, ...
Authors:Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A.
Deposit date:2008-06-02
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
2PPI
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BU of 2ppi by Molmil
Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin
Descriptor: Gigaxonin
Authors:Amos, A, Turnbull, A.P, Tickle, J, Keates, T, Bullock, A, Savitsky, P, Burgess-Brown, N, Debreczeni, J.E, Ugochukwu, E, Umeano, C, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-04-30
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin.
To be Published
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
2W0I
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BU of 2w0i by Molmil
Structure Of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain Of Human Twinfilin-2
Descriptor: TWINFILIN-2
Authors:Elkins, J.M, Pike, A.C.W, Salah, E, Savitsky, P, Murray, J.W, Roos, A, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstrom, M, Bountra, C, Knapp, S.
Deposit date:2008-08-18
Release date:2008-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin- 2
To be Published
1V6I
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BU of 1v6i by Molmil
Peanut lectin-lactose complex in acidic pH
Descriptor: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
Authors:Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
Deposit date:2003-12-01
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
2W2R
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BU of 2w2r by Molmil
Structure of the vesicular stomatitis virus matrix protein
Descriptor: MATRIX PROTEIN
Authors:Graham, S.C, Assenberg, R, Delmas, O, Verma, A, Gholami, A, Talbi, C, Owens, R.J, Stuart, D.I, Grimes, J.M, Bourhy, H.
Deposit date:2008-11-03
Release date:2009-01-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Rhabdovirus Matrix Protein Structures Reveal a Novel Mode of Self-Association.
Plos Pathog., 4, 2008

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