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1XD4
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BU of 1xd4 by Molmil
Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS)
Descriptor: Son of sevenless protein homolog 1
Authors:Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J.
Deposit date:2004-09-03
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
4DN8
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BU of 4dn8 by Molmil
Structure of porcine surfactant protein D neck and carbohydrate recognition domain complexed with mannose
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, beta-D-mannopyranose
Authors:van Eijk, M, Rynkiewicz, M.J, White, M.R, Hartshorn, K.L, Zou, X, Schulten, K, Luo, D, Crouch, E.C, Cafarella, T.M, Head, J.F, Haagsman, H.P, Seaton, B.A.
Deposit date:2012-02-08
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Unique Sugar-binding Site Mediates the Distinct Anti-influenza Activity of Pig Surfactant Protein D.
J.Biol.Chem., 287, 2012
6UZO
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BU of 6uzo by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
1XKK
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BU of 1xkk by Molmil
EGFR kinase domain complexed with a quinazoline inhibitor- GW572016
Descriptor: Epidermal growth factor receptor, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, PHOSPHATE ION
Authors:Wood, E.R, Truesdale, A.T, McDonald, O.B, Yuan, D, Hassell, A, Dickerson, S.H, Ellis, B, Pennisi, C, Horne, E, Lackey, K, Alligood, K.J, Rusnak, D.W, Gilmer, T.M, Shewchuk, L.M.
Deposit date:2004-09-29
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells.
Cancer Res., 64, 2004
4L3B
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BU of 4l3b by Molmil
X-ray structure of the HRV2 A particle uncoating intermediate
Descriptor: Protein VP1, Protein VP2, Protein VP3
Authors:Vives-Adrian, L, Querol-Audi, J, Garriga, D, Pous, J, Verdaguer, N.
Deposit date:2013-06-05
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Uncoating of common cold virus is preceded by RNA switching as determined by X-ray and cryo-EM analyses of the subviral A-particle.
Proc.Natl.Acad.Sci.USA, 110, 2013
1XMI
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BU of 1xmi by Molmil
Crystal structure of human F508A NBD1 domain with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX
Deposit date:2004-10-02
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
3VVW
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BU of 3vvw by Molmil
NDP52 in complex with LC3C
Descriptor: Calcium-binding and coiled-coil domain-containing protein 2, Microtubule-associated proteins 1A/1B light chain 3C
Authors:Akutsu, M, Muhlinen, N.V, Randow, F, Komander, D.
Deposit date:2012-07-28
Release date:2013-02-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:LC3C, bound selectively by a noncanonical LIR motif in NDP52, is required for antibacterial autophagy
Mol.Cell, 48, 2012
1XOS
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BU of 1xos by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Sildenafil
Descriptor: 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, SULFATE ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-06
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1XOZ
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BU of 1xoz by Molmil
Catalytic Domain Of Human Phosphodiesterase 5A In Complex With Tadalafil
Descriptor: 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-07
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1XQH
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BU of 1xqh by Molmil
Crystal structure of a ternary complex of the methyltransferase SET9 (also known as SET7/9) with a P53 peptide and SAH
Descriptor: 9-mer peptide from tumor protein p53, Histone-lysine N-methyltransferase, H3 lysine-4 specific, ...
Authors:Chuikov, S, Kurash, J.K, Wilson, J.R, Xiao, B, Justin, N, Ivanov, G.S, McKinney, K, Tempst, P, Prives, C, Gamblin, S.J, Barlev, N.A, Reinberg, D.
Deposit date:2004-10-12
Release date:2004-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Regulation of p53 activity through lysine methylation
Nature, 432, 2004
4E0O
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BU of 4e0o by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
Authors:Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
1XFL
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BU of 1xfl by Molmil
Solution Structure of Thioredoxin h1 from Arabidopsis Thaliana
Descriptor: Thioredoxin h1
Authors:Peterson, F.C, Lytle, B.L, Sampath, S, Vinarov, D, Tyler, E, Shahan, M, Markley, J.L, Volkman, B.F, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-09-15
Release date:2004-09-28
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of thioredoxin h1 from Arabidopsis thaliana.
Protein Sci., 14, 2005
6VA7
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BU of 6va7 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase P396L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
8A6M
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BU of 8a6m by Molmil
Phosphatidylserine-dependent synaptic vesicle membrane sculpting by synaptogyrin
Descriptor: Isoform 1B of Synaptogyrin-1
Authors:Yu, T.K, Eastep, G.N, Flores, D, Zweckstetter, M.
Deposit date:2022-06-18
Release date:2023-05-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Phosphatidylserine-dependent structure of synaptogyrin remodels the synaptic vesicle membrane.
Nat.Struct.Mol.Biol., 30, 2023
1XH7
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BU of 1xh7 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1X9S
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BU of 1x9s by Molmil
T7 DNA polymerase in complex with a primer/template DNA containing a disordered N-2 aminofluorene on the template, crystallized with dideoxy-CTP as the incoming nucleotide.
Descriptor: 5'-D(*CP*CP*CP*(AFG)P*AP*TP*CP*AP*CP*AP*CP*TP*AP*CP*CP*AP*AP*TP*CP*AP*CP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*GP*TP*GP*AP*TP*T*GP*GP*TP*AP*GP*TP*GP*TP*GP*AP*(2DT))-3', DNA polymerase, ...
Authors:Dutta, S, Li, Y, Johnson, D, Dzantiev, L, Richardson, C.C, Romano, L.J, Ellenberger, T.
Deposit date:2004-08-24
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of 2-acetylaminofluorene and 2-aminofluorene in complex with T7 DNA polymerase reveal mechanisms of mutagenesis.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1XA8
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BU of 1xa8 by Molmil
Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa)
Descriptor: GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ...
Authors:Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S.
Deposit date:2004-08-25
Release date:2004-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
1XCB
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BU of 1xcb by Molmil
X-ray Structure of a Rex-Family Repressor/NADH Complex from Thermus Aquaticus
Descriptor: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex
Authors:Sickmier, E.A, Brekasis, D, Paranawithana, S, Bonanno, J.B, Burley, S.K, Paget, M.S, Kielkopf, C.L, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-09-01
Release date:2004-09-28
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-Ray Structure of a Rex-Family Repressor/NADH Complex: Insights into the Mechanism of Redox Sensing
Structure, 13, 2005
1XD2
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BU of 1xd2 by Molmil
Crystal Structure of a ternary Ras:SOS:Ras*GDP complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J.
Deposit date:2004-09-03
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
6V9S
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BU of 6v9s by Molmil
Structure-based development of subtype-selective orexin 1 receptor antagonists
Descriptor: CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ...
Authors:Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P.
Deposit date:2019-12-16
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V9Y
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BU of 6v9y by Molmil
Structure of TRPA1 bound with A-967079, PMAL-C8
Descriptor: Transient receptor potential cation channel subfamily A member 1
Authors:Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D.
Deposit date:2019-12-16
Release date:2020-05-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Irritant-evoked activation and calcium modulation of the TRPA1 receptor.
Nature, 585, 2020
4PYT
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BU of 4pyt by Molmil
Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N.
Deposit date:2014-03-27
Release date:2014-05-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:LucY: A Versatile New Fluorescent Reporter Protein.
Plos One, 10, 2015
1XLZ
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BU of 1xlz by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Filaminast
Descriptor: (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-09-30
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1XJR
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BU of 1xjr by Molmil
The Structure of a Rigorously Conserved RNA Element Within the SARS Virus Genome
Descriptor: MAGNESIUM ION, s2m RNA
Authors:Robertson, M.P, Igel, H, Baertsch, R, Haussler, D, Ares Jr, M, Scott, W.G.
Deposit date:2004-09-24
Release date:2005-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of a rigorously conserved RNA element within the SARS virus genome
Plos Biol., 3, 2005
6V8D
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BU of 6v8d by Molmil
Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
Descriptor: (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B.
Deposit date:2019-12-10
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published

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