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6UGI
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BU of 6ugi by Molmil
Crystal structure of a fragment of E. coli tRNA(Asp) consisting of its acceptor stem/T stem-loop. Long unit cell.
Descriptor: SULFATE ION, tRNA(Asp) acceptor stem/T stem-loop
Authors:Chan, C.W, Mondragon, A.
Deposit date:2019-09-26
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of an unmodified bacterial tRNA reveal intrinsic structural flexibility and plasticity as general properties of unbound tRNAs.
Rna, 26, 2020
3KCH
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BU of 3kch by Molmil
Baranase crosslinked by glutaraldehyde
Descriptor: PENTANEDIAL, Ribonuclease
Authors:Prange, T, Salem, M, Mauguen, Y.
Deposit date:2009-10-21
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Revisiting glutaraldehyde cross-linking: the case of the Arg-Lys intermolecular doublet
Acta Crystallogr.,Sect.F, 66, 2010
3L54
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BU of 3l54 by Molmil
Structure of Pi3K gamma with inhibitor
Descriptor: 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Elkins, P.A, Smallwood, A.M.
Deposit date:2009-12-21
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
5NOG
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BU of 5nog by Molmil
Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "Blocked" state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cardiac muscle alpha actin 1, MAGNESIUM ION, ...
Authors:Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E.
Deposit date:2017-04-12
Release date:2017-07-19
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3JYU
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BU of 3jyu by Molmil
Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitin carboxyl-terminal hydrolase
Authors:Bacik, J.P, Avvakumov, G, Walker, J.R, Xue, S, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-22
Release date:2009-10-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
To be Published
6UZ7
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BU of 6uz7 by Molmil
K.lactis 80S ribosome with p/PE tRNA and eIF5B
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ...
Authors:Fernandez, I.S, Huang, B.Y.
Deposit date:2019-11-14
Release date:2020-01-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Long-range interdomain communications in eIF5B regulate GTP hydrolysis and translation initiation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5MM9
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BU of 5mm9 by Molmil
VIM-2_2b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding
Descriptor: (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol, MAGNESIUM ION, Metallo-beta-lactamase VIM-17, ...
Authors:Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A.
Deposit date:2016-12-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
5ABW
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BU of 5abw by Molmil
Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases
Descriptor: 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:von Nussbaum, F, Li, V.M, Schaefer, M.
Deposit date:2015-08-10
Release date:2015-08-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
Bioorg. Med. Chem. Lett., 25, 2015
6TAA
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BU of 6taa by Molmil
STRUCTURE AND MOLECULAR MODEL REFINEMENT OF ASPERGILLUS ORYZAE (TAKA) ALPHA-AMYLASE: AN APPLICATION OF THE SIMULATED-ANNEALING METHOD
Descriptor: ALPHA-AMYLASE, CALCIUM ION
Authors:Swift, H.J, Brady, L, Derewenda, Z.S, Dodson, E.J, Turkenburg, J.P, Wilkinson, A.J.
Deposit date:1992-08-21
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and molecular model refinement of Aspergillus oryzae (TAKA) alpha-amylase: an application of the simulated-annealing method.
Acta Crystallogr.,Sect.B, 47, 1991
5ACO
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BU of 5aco by Molmil
Cryo-EM structure of PGT128 Fab in complex with BG505 SOSIP.664 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 ENVELOPE GLYCOPROTEIN, ...
Authors:Lee, J.H, Ward, A.B.
Deposit date:2015-08-17
Release date:2015-09-30
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Model Building and Refinement of a Natively Glycosylated HIV-1 Env Protein by High-Resolution Cryoelectron Microscopy.
Structure, 23, 2015
5A29
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BU of 5a29 by Molmil
Family 2 Pectate Lyase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ...
Authors:McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W.
Deposit date:2015-05-15
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
3J67
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BU of 3j67 by Molmil
Structural mechanism of the dynein powerstroke (post-powerstroke state)
Descriptor: Dynein motor domain
Authors:Lin, J, Okada, K, Raytchev, M, Smith, M.C, Nicastro, D.
Deposit date:2013-12-22
Release date:2014-04-23
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (34 Å)
Cite:Structural mechanism of the dynein power stroke.
Nat.Cell Biol., 16, 2014
6VWU
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BU of 6vwu by Molmil
X-ray structure of ALKS 4230, a fusion of circularly permuted human Interleukin-2 and Interleukin-2 Receptor alpha
Descriptor: Interleukin-2,Interleukin-2 receptor subunit alpha
Authors:Losey, H.C.
Deposit date:2020-02-20
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:ALKS 4230: a novel engineered IL-2 fusion protein with an improved cellular selectivity profile for cancer immunotherapy.
J Immunother Cancer, 8, 2020
6VTK
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BU of 6vtk by Molmil
Structure of an acid-sensing ion channel solubilized by styrene maleic acid and in a desensitized state at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1
Authors:Yoder, N, Gouaux, E.
Deposit date:2020-02-12
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:The His-Gly motif of acid-sensing ion channels resides in a reentrant 'loop' implicated in gating and ion selectivity.
Elife, 9, 2020
3KOH
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BU of 3koh by Molmil
Cytochrome P450 2E1 with omega-imidazolyl octanoic acid
Descriptor: 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2009-11-13
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
6VLO
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BU of 6vlo by Molmil
X-ray Structure of the R141 Sugar 4,6-dehydratase from Acanthamoeba polyphaga Minivirus
Descriptor: NICKEL (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative dTDP-D-glucose 4,6-dehydratase, ...
Authors:Thoden, J.B, Ferek, J.D, Holden, H.M.
Deposit date:2020-01-24
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biochemical analysis of a sugar 4,6-dehydratase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 29, 2020
5LJO
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BU of 5ljo by Molmil
E. coli BAM complex (BamABCDE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J.
Deposit date:2016-07-19
Release date:2016-10-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
5LH8
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BU of 5lh8 by Molmil
Trypsin inhibitors for the treatment of pancreatitis - cpd 8
Descriptor: (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J.
Deposit date:2016-07-08
Release date:2016-08-10
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
5NOJ
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BU of 5noj by Molmil
Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "OPEN" state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E.
Deposit date:2017-04-12
Release date:2017-08-02
Last modified:2017-08-09
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6TNM
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BU of 6tnm by Molmil
E. coli aerobic trifunctional enzyme subunit-alpha
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Fatty acid oxidation complex subunit alpha, GLYCEROL, ...
Authors:Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
Deposit date:2019-12-09
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Insights into the stability and substrate specificity of the E. coli aerobic beta-oxidation trifunctional enzyme complex.
J.Struct.Biol., 210, 2020
3J9B
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BU of 3j9b by Molmil
Electron cryo-microscopy of an RNA polymerase
Descriptor: Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ...
Authors:Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F.
Deposit date:2014-12-16
Release date:2015-02-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
3KWX
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BU of 3kwx by Molmil
Chemically modified Taka alpha-amylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION
Authors:Siddiqui, K.S, Harrop, S.J, Poljak, A, De Francisci, D, Guerriero, G, Pilak, O, Burg, D, Raftery, M.J, Parkin, D.M, Trewhella, J, Cavicchioli, R.
Deposit date:2009-12-01
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Modified alpha-amylase with a molten-globule state has enhanced thermal stability
To be Published
5CY5
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BU of 5cy5 by Molmil
Crystal structure of the T33-51H designed self-assembling protein tetrahedron
Descriptor: T33-51H-A, T33-51H-B
Authors:Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O.
Deposit date:2015-07-30
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
Descriptor: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015

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