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5ZRM
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BU of 5zrm by Molmil
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor In-AC
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate, CHLORIDE ION, ...
Authors:Jiang, L.L, Zhou, L.
Deposit date:2018-04-24
Release date:2019-05-01
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Phosphoglycerate mutase 1 complexed with a small molecule inhibitor In-AC
To Be Published
6ZMI
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BU of 6zmi by Molmil
SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-02
Release date:2020-08-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6PLB
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BU of 6plb by Molmil
Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWL
Descriptor: 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2019-06-30
Release date:2020-11-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
8R21
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BU of 8r21 by Molmil
Alpha-1-antitrypsin (Ile340Trp) in the native conformation
Descriptor: Alpha-1-antitrypsin
Authors:Aldobiyan, I, Lee, H.J, Lomas, D.A, Irving, J.A.
Deposit date:2023-11-02
Release date:2024-11-13
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To be published
7ODK
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BU of 7odk by Molmil
Plant peptide hormone receptor H1
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:Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
Deposit date:2021-04-29
Release date:2022-02-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
6A9S
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BU of 6a9s by Molmil
The crystal structure of vaccinia virus A26 (residues 1-397)
Descriptor: 1,2-ETHANEDIOL, Protein A26
Authors:Wang, H.C, Ko, T.Z, Luo, Y.C, Liao, Y.T, Chang, W.
Deposit date:2018-07-16
Release date:2019-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Vaccinia viral A26 protein is a fusion suppressor of mature virus and triggers membrane fusion through conformational change at low pH.
Plos Pathog., 15, 2019
6GBF
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BU of 6gbf by Molmil
The Structure of variant R369A of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Krausze, J.
Deposit date:2018-04-13
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:The functional principle of eukaryotic molybdenum insertases.
Biochem. J., 475, 2018
9INF
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BU of 9inf by Molmil
Cryo-EM structure of human XPR1 in closed state in the presence of KIDINS220-1-432 and 10 mM KH2PO4
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, ARACHIDONIC ACID, CHOLESTEROL, ...
Authors:Yin, Y, Zuo, P, Liang, L.
Deposit date:2024-07-06
Release date:2025-04-02
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Synergistic activation of the human phosphate exporter XPR1 by KIDINS220 and inositol pyrophosphate.
Nat Commun, 16, 2025
9EC2
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BU of 9ec2 by Molmil
Crystal structure of SAMHD1 dimer bound to an inhibitor obtained from high-throughput chemical tethering to the guanine antiviral acyclovir
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, N-[5-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl}amino)-5-oxopentyl]-4,7-dibromo-3-hydroxynaphthalene-2-carboxamide
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Lopez-Rovira, L.M, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2024-11-13
Release date:2025-03-12
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Inhibitors of SAMHD1 Obtained from Chemical Tethering to the Guanine Antiviral Acyclovir.
Biochemistry, 64, 2025
7TDJ
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BU of 7tdj by Molmil
Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 1(Dataset-A)
Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ...
Authors:Nayak, A.R, Samso, M.
Deposit date:2021-12-31
Release date:2022-03-09
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM.
Elife, 11, 2022
5JYP
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BU of 5jyp by Molmil
Allosteric inhibition of Kidney Isoform of Glutaminase
Descriptor: 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial
Authors:Ramachandran, S, Sivaraman, J.
Deposit date:2016-05-15
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural basis for exploring the allosteric inhibition of human kidney type glutaminase.
Oncotarget, 7, 2016
3LRD
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BU of 3lrd by Molmil
Self-assembly of spider silk proteins is controlled by a pH-sensitive relay
Descriptor: 1,2-ETHANEDIOL, Major ampullate spidroin 1, TRIETHYLENE GLYCOL
Authors:Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D, Saenz, A, Casals, C.
Deposit date:2010-02-11
Release date:2010-05-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
6JQT
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BU of 6jqt by Molmil
Crystal structure of ordered Asn70 and Asn116 in native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.80 Angstrom resolution.
Descriptor: Peptidyl-tRNA hydrolase
Authors:Viswanathan, V, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2019-04-01
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of ordered Asn70 and Asn116 in native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.80 Angstrom resolution.
To Be Published
6T5O
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BU of 6t5o by Molmil
Bacteroides salyersiae GH164 beta-mannosidase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D(-)-TARTARIC ACID, ...
Authors:Armstrong, Z, Davies, G.
Deposit date:2019-10-16
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164.
J.Biol.Chem., 295, 2020
7DOP
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BU of 7dop by Molmil
Structural insights into viral RNA capping and plasma membrane targeting by Chikungunya virus nonstructural protein 1
Descriptor: Nonstructural Protein 1, ZINC ION
Authors:Zhang, K, Law, Y.S, Law, M.C.Y, Tan, Y.B, Wirawan, M, Luo, D.H.
Deposit date:2020-12-15
Release date:2021-03-24
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:Structural insights into viral RNA capping and plasma membrane targeting by Chikungunya virus nonstructural protein 1.
Cell Host Microbe, 29, 2021
6FND
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BU of 6fnd by Molmil
Crystal structure of Toxoplasma gondii AKMT
Descriptor: 1,2-ETHANEDIOL, Apical complex lysine methyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Pivovarova, Y, Dong, G.
Deposit date:2018-02-02
Release date:2018-11-14
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of a Novel Dimeric SET Domain Methyltransferase that Regulates Cell Motility.
J. Mol. Biol., 430, 2018
5SHV
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BU of 5shv by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(F)cccc1N2CCC(=O)CC2, micromolar IC50=117.769376
Descriptor: 1-(6-fluoropyridin-2-yl)piperidin-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
3LWX
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BU of 3lwx by Molmil
Crystal structure of Na(+)-translocating NADH-quinone reductase subunit C (YP_001302508.1) from Parabacteroides distasonis ATCC 8503 at 1.10 A resolution
Descriptor: GLYCEROL, NADH:ubiquinone oxidoreductase, Na translocating, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-02-24
Release date:2010-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of Na(+)-translocating NADH-quinone reductase subunit C (YP_001302508.1) from Parabacteroides distasonis ATCC 8503 at 1.10 A resolution
To be published
6JIS
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BU of 6jis by Molmil
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Luo, S, Ju, Y, Zhou, H.
Deposit date:2019-02-23
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
6FPZ
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BU of 6fpz by Molmil
Inter-alpha-inhibitor heavy chain 1, D298A
Descriptor: ACETATE ION, GLYCEROL, Inter-alpha-trypsin inhibitor heavy chain H1
Authors:Briggs, D.C, Day, A.J.
Deposit date:2018-02-12
Release date:2019-02-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inter-alpha-inhibitor heavy chain-1 has an integrin-like 3D structure mediating immune regulatory activities and matrix stabilization during ovulation
J.Biol.Chem., 2020
5LT6
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BU of 5lt6 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
4Y4W
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BU of 4y4w by Molmil
Endothiapepsin in complex with fragment 125
Descriptor: 1,2-ETHANEDIOL, 4-methylpiperidine-1-carboximidamide, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
1JV7
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BU of 1jv7 by Molmil
BACTERIORHODOPSIN O-LIKE INTERMEDIATE STATE OF THE D85S MUTANT AT 2.25 ANGSTROM RESOLUTION
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Rouhani, S, Cartailler, J.-P, Facciotti, M.T, Walian, P, Needleman, R, Lanyi, J.K, Glaeser, R.M, Luecke, H.
Deposit date:2001-08-28
Release date:2001-10-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the D85S mutant of bacteriorhodopsin: model of an O-like photocycle intermediate.
J.Mol.Biol., 313, 2001
5UOJ
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BU of 5uoj by Molmil
THE STRUCTURE OF THE MAP KINASE P38 AT 2.1 ANGSTROMS RESOLUTION
Descriptor: Mitogen-activated protein kinase 14
Authors:CHLEBOWICZ, J, WANG, Z, GOLDSMITH, E.J.
Deposit date:2017-01-31
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of mitogen-activated protein kinase p38 at 2.1-A resolution.
Proc. Natl. Acad. Sci. U.S.A., 94, 1997
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015

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