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1BD4
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BU of 1bd4 by Molmil
UPRT-URACIL COMPLEX
Descriptor: PHOSPHATE ION, URACIL, URACIL PHOSPHORIBOSYLTRANSFERASE
Authors:Schumacher, M.A, Carter, D, Scott, D, Roos, D, Ullman, B, Brennan, R.G.
Deposit date:1998-05-12
Release date:1999-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding.
EMBO J., 17, 1998
6PHW
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BU of 6phw by Molmil
SpAga D472N structure in complex with melibiose
Descriptor: 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
5MAH
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BU of 5mah by Molmil
Crystal structure of MELK in complex with an inhibitor
Descriptor: CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
Authors:Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAF
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Crystal structure of MELK in complex with an inhibitor
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ...
Authors:Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
6MYA
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BU of 6mya by Molmil
Crystal structure of InvbP.18715.a.KN11: Influenza hemagglutinin from strain A/Almaty/32/1998
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-11-01
Release date:2018-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
8F9P
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BU of 8f9p by Molmil
Dog sialic acid esterase (SIAE) inactive mutant S128A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Ide, D, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-11-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dog sialic acid esterase (SIAE) inactive mutant S128A
To Be Published
5J63
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BU of 5j63 by Molmil
Crystal Structure of the N-terminal N-formyltransferase Domain (residues 1-306) of Escherichia coli Arna in Complex with UDP-Ara4N and Folinic Acid
Descriptor: (2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, (4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde, Bifunctional polymyxin resistance protein ArnA
Authors:Thoden, J.B, Genthe, N.A, Holden, H.M.
Deposit date:2016-04-04
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Escherichia coli ArnA N-formyltransferase domain in complex with N(5) -formyltetrahydrofolate and UDP-Ara4N.
Protein Sci., 25, 2016
5MAI
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BU of 5mai by Molmil
Crystal structure of MELK in complex with an inhibitor
Descriptor: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase
Authors:Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
1B3A
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BU of 1b3a by Molmil
TOTAL CHEMICAL SYNTHESIS AND HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE POTENT ANTI-HIV PROTEIN AOP-RANTES
Descriptor: PENTYLOXYAMINO-ACETALDEHYDE, PROTEIN (RANTES), SULFATE ION
Authors:Wilken, J, Hoover, D, Thompson, D.A, Barlow, P.N, Mcsparron, H, Picard, L, Wlodawer, A, Lubkowski, J, Kent, S.B.H.
Deposit date:1998-12-07
Release date:1999-04-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein AOP-RANTES.
Chem.Biol., 6, 1999
6ZTW
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BU of 6ztw by Molmil
Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Grzechowiak, M, Sekula, B, Ruszkowski, M.
Deposit date:2020-07-20
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
6P94
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BU of 6p94 by Molmil
Human APE1 C65A AP-endonuclease product complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Whitaker, A.W, Stark, W.J, Freudenthal, B.D.
Deposit date:2019-06-09
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
6PAD
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BU of 6pad by Molmil
Binding of chloromethyl ketone substrate analogues to crystalline papain
Descriptor: Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-L-phenylalaninamide, PAPAIN
Authors:Drenth, J, Kalk, K.H, Swen, H.M.
Deposit date:1976-11-01
Release date:1977-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
4XJM
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BU of 4xjm by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015
6J1P
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BU of 6j1p by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - SR
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Cen, Y.X, Zhou, J.H, Wu, Q.
Deposit date:2018-12-29
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
1AVA
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BU of 1ava by Molmil
AMY2/BASI PROTEIN-PROTEIN COMPLEX FROM BARLEY SEED
Descriptor: BARLEY ALPHA-AMYLASE 2(CV MENUET), BARLEY ALPHA-AMYLASE/SUBTILISIN INHIBITOR, CALCIUM ION
Authors:Vallee, F, Kadziola, A, Bourne, Y, Juy, M, Svensson, B, Haser, R.
Deposit date:1997-09-15
Release date:1999-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Barley alpha-amylase bound to its endogenous protein inhibitor BASI: crystal structure of the complex at 1.9 A resolution.
Structure, 6, 1998
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
8GEP
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BU of 8gep by Molmil
SULFITE REDUCTASE HEMOPROTEIN NITRATE COMPLEX
Descriptor: IRON/SULFUR CLUSTER, NITRATE ION, POTASSIUM ION, ...
Authors:Crane, B.R, Getzoff, E.D.
Deposit date:1997-07-11
Release date:1998-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
6MJS
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BU of 6mjs by Molmil
Azurin 122W/124W/126Re
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D.
Deposit date:2018-09-21
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
5ITJ
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BU of 5itj by Molmil
The structure of histone-like protein
Descriptor: AbrB family transcriptional regulator, SULFATE ION, TETRAETHYLENE GLYCOL
Authors:Lin, B.L, Chen, C.Y, Huang, C.H, Ko, T.P, Chiang, C.H, Lin, K.F, Chang, Y.C, Lin, P.Y, Tsai, H.H.G, Wang, A.H.J.
Deposit date:2016-03-17
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:The Arginine Pairs and C-Termini of the Sso7c4 from Sulfolobus solfataricus Participate in Binding and Bending DNA.
PLoS ONE, 12, 2017
6ZLM
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BU of 6zlm by Molmil
Dihydrolipoyllysine-residue acetyltransferase component of fungal pyruvate dehydrogenase complex with protein X bound
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, Pyruvate dehydrogenase X component
Authors:Forsberg, B.O, Aibara, S, Howard, R.J, Mortezaei, N, Lindahl, E.
Deposit date:2020-06-30
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex.
Nat Commun, 11, 2020
8GSF
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BU of 8gsf by Molmil
Echovirus3 empty particle in complex with 6D10 Fab (sideling)
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
6YVX
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BU of 6yvx by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287
Descriptor: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Banerji, B, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
5J0L
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BU of 5j0l by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
Descriptor: designed protein 3L6HC2_2
Authors:Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
Deposit date:2016-03-28
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
8DT3
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BU of 8dt3 by Molmil
Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ...
Authors:Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J.
Deposit date:2022-07-25
Release date:2022-08-03
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022
6N5X
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BU of 6n5x by Molmil
Crystal structure of the SNX5 PX domain in complex with the CI-MPR (space group P212121 - Form 1)
Descriptor: GLYCEROL, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), Sorting nexin-5,Cation-independent mannose-6-phosphate receptor
Authors:Collins, B, Paul, B, Weeratunga, S.
Deposit date:2018-11-22
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Molecular identification of a BAR domain-containing coat complex for endosomal recycling of transmembrane proteins.
Nat.Cell Biol., 21, 2019

224004

数据于2024-08-21公开中

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