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6FPP
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BU of 6fpp by Molmil
Structure of S. pombe Mmi1
Descriptor: GLYCEROL, MAGNESIUM ION, YTH domain-containing protein mmi1
Authors:Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A.
Deposit date:2018-02-11
Release date:2018-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
6FPQ
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BU of 6fpq by Molmil
Structure of S. pombe Mmi1 in complex with 7-mer RNA
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, RNA (5'-R(*UP*UP*AP*AP*AP*CP*C)-3'), YTH domain-containing protein mmi1
Authors:Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A.
Deposit date:2018-02-11
Release date:2018-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
3ZGL
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BU of 3zgl by Molmil
Crystal structures of Escherichia coli IspH in complex with AMBPP a potent inhibitor of the methylerythritol phosphate pathway
Descriptor: (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER
Authors:Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M.
Deposit date:2012-12-18
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials.
Chembiochem, 18, 2017
6FYX
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BU of 6fyx by Molmil
Structure of a partial yeast 48S preinitiation complex with eIF5 N-terminal domain (model C1)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0, 40S ribosomal protein S1, ...
Authors:Llacer, J.L, Hussain, T, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2018-03-12
Release date:2018-12-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Translational initiation factor eIF5 replaces eIF1 on the 40S ribosomal subunit to promote start-codon recognition.
Elife, 7, 2018
6FYY
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BU of 6fyy by Molmil
Structure of a partial yeast 48S preinitiation complex with eIF5 N-terminal domain (model C2)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0, 40S ribosomal protein S1, ...
Authors:Llacer, J.L, Hussain, T, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2018-03-12
Release date:2018-12-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Translational initiation factor eIF5 replaces eIF1 on the 40S ribosomal subunit to promote start-codon recognition.
Elife, 7, 2018
6GMU
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BU of 6gmu by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-05-28
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
3V2T
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BU of 3v2t by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V66A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2011-12-12
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pressure effects in proteins
To be Published
6GIM
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BU of 6gim by Molmil
Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18)
Descriptor: DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
Authors:Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L.
Deposit date:2018-05-14
Release date:2018-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
6GWX
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BU of 6gwx by Molmil
Stabilising and Understanding a Miniprotein by Rational Design.
Descriptor: Optimised PPa-TYR
Authors:Porter Goff, K.L, Williams, C, Baker, E.G, Nicol, D, Samphire, J.L, Zieleniewski, F.L, Crump, M.P, Woolfson, D.N.
Deposit date:2018-06-26
Release date:2019-07-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Stabilizing and Understanding a Miniprotein by Rational Redesign.
Biochemistry, 58, 2019
6H3E
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BU of 6h3e by Molmil
Receptor-bound Ghrelin conformation
Descriptor: Appetite-regulating hormone, octan-1-amine
Authors:Ferre, G, Damian, M, M'Kadmi, C, Saurel, O, Czaplicki, G, Demange, P, Marie, J, Fehrentz, J.A, Baneres, J.L, Milon, A.
Deposit date:2018-07-18
Release date:2019-07-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain.
Proc.Natl.Acad.Sci.USA, 116, 2019
1BOQ
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BU of 1boq by Molmil
PRO REGION C-TERMINUS: PROTEASE ACTIVE SITE INTERACTIONS ARE CRITICAL IN CATALYZING THE FOLDING OF ALPHA-LYTIC PROTEASE
Descriptor: PROTEIN (ALPHA-LYTIC PROTEASE), SULFATE ION
Authors:Peters, R.J, Shiau, A.K, Sohl, J.L, Anderson, D.E, Tang, G, Silen, J.L, Agard, D.A.
Deposit date:1998-08-05
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pro region C-terminus:protease active site interactions are critical in catalyzing the folding of alpha-lytic protease.
Biochemistry, 37, 1998
2ATC
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BU of 2atc by Molmil
CRYSTAL AND MOLECULAR STRUCTURES OF NATIVE AND CTP-LIGANDED ASPARTATE CARBAMOYLTRANSFERASE FROM ESCHERICHIA COLI
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, REGULATORY CHAIN, ...
Authors:Honzatko, R.B, Crawford, J.L, Monaco, H.L, Ladner, J.E, Edwards, B.F.P, Evans, D.R, Warren, S.G, Wiley, D.C, Ladner, R.C, Lipscomb, W.N.
Deposit date:1982-03-24
Release date:1982-12-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal and molecular structures of native and CTP-liganded aspartate carbamoyltransferase from Escherichia coli.
J.Mol.Biol., 160, 1982
6G4J
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BU of 6g4j by Molmil
Structure of the protein kinase YabT from Bacillus subtilis in complex with an alphaREP crystallization helper
Descriptor: Probable serine/threonine-protein kinase YabT, alphaREP bE8
Authors:Nessler, S, Cavagnino, A, Rabefiraisana, J.L.
Deposit date:2018-03-27
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structural Analysis of the Hanks-Type Protein Kinase YabT FromBacillus subtilisProvides New Insights in its DNA-Dependent Activation.
Front Microbiol, 9, 2018
6FZR
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BU of 6fzr by Molmil
Crystal structure of scFv-SM3 in complex with compound 2
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ...
Authors:Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
3UXW
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BU of 3uxw by Molmil
Crystal Structures of an A-T-hook/DNA complex
Descriptor: A-T hook peptide, dodecamer DNA
Authors:Fonfria-Subiros, E, Acosta-Reyes, F.J, Saperas, N, Pous, J, Subirana, J.A, Campos, J.L.
Deposit date:2011-12-05
Release date:2012-05-23
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of a complex of DNA with one AT-hook of HMGA1.
Plos One, 7, 2012
6FPX
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BU of 6fpx by Molmil
Structure of S. pombe Mmi1 in complex with 11-mer RNA
Descriptor: GLYCEROL, RNA (5'-R(P*UP*UP*UP*AP*AP*AP*CP*CP*UP*A)-3'), YTH domain-containing protein mmi1
Authors:Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A.
Deposit date:2018-02-12
Release date:2018-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
6FTU
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BU of 6ftu by Molmil
Structure of a Quadruplex forming sequence from D. discoideum
Descriptor: DNA (26-MER), POTASSIUM ION
Authors:Guedin, A, Linda, L, Armane, S, Lacroix, L, Mergny, J.L, Thore, S, Yatsunyk, L.A.
Deposit date:2018-02-23
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Quadruplexes in 'Dicty': crystal structure of a four-quartet G-quadruplex formed by G-rich motif found in the Dictyostelium discoideum genome.
Nucleic Acids Res., 46, 2018
1A2M
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BU of 1a2m by Molmil
OXIDIZED DSBA AT 2.7 ANGSTROMS RESOLUTION, CRYSTAL FORM III
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1ODC
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BU of 1odc by Molmil
STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2003-02-15
Release date:2005-03-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
6H0A
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BU of 6h0a by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-07-07
Release date:2019-07-17
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6FRJ
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BU of 6frj by Molmil
Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ...
Authors:Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
Deposit date:2018-02-16
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
6FZQ
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BU of 6fzq by Molmil
Crystal structure of scFv-SM3 in complex with compound 3
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ...
Authors:Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
4AQZ
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BU of 4aqz by Molmil
B2 domain of Neisseria meningitidis Pilus assembly protein PilQ
Descriptor: TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN PILQ
Authors:Phelan, M.M, Berry, J.L, Derrick, J.P, Lian, L.Y.
Deposit date:2012-04-20
Release date:2012-10-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and Assembly of a Trans-Periplasmic Channel for Type Iv Pili in Neisseria Meningitidis.
Plos Pathog., 8, 2012
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Descriptor: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-04-07
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
3V7I
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BU of 3v7i by Molmil
Germicidin synthase (Gcs) from Streptomyces coelicolor, a type III polyketide synthase
Descriptor: Putative polyketide synthase
Authors:Akey, D.L, Smith, J.L, Geders, T.W.
Deposit date:2011-12-21
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of Germicidin Synthase: Analysis of a Type III Polyketide Synthase That Employs Acyl-ACP as a Starter Unit Donor.
J.Am.Chem.Soc., 134, 2012

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