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8FG6
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BU of 8fg6 by Molmil
Design of amyloidogenic peptide traps
Descriptor: C104.1, amyloidogenic peptide
Authors:Sahtoe, D.D, Bera, A.K, Baker, D.
Deposit date:2022-12-12
Release date:2024-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 2024
7RGG
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BU of 7rgg by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES
Descriptor: Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
Authors:Milano, S.K, Finke, A, Cerione, R.A.
Deposit date:2021-07-15
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
7REN
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BU of 7ren by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004
Descriptor: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Milano, S.K, Finke, A, Cerione, R.A.
Deposit date:2021-07-13
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
4WZQ
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BU of 4wzq by Molmil
Mutant K20E of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with RNA
Descriptor: MANGANESE (II) ION, RNA dependent-RNA polymerase 3D, RNA template, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
6VGQ
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BU of 6vgq by Molmil
ClpP1P2 complex from M. tuberculosis with GLF-CMK bound to ClpP1
Descriptor: ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, Z-Gly-leu-phe-CH2Cl
Authors:Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-08
Release date:2020-03-18
Last modified:2020-04-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VGK
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BU of 6vgk by Molmil
ClpP1P2 complex from M. tuberculosis
Descriptor: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
Authors:Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-08
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
4WZM
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BU of 4wzm by Molmil
Mutant K18E of RNA dependent RNA polymerase from Foot-and-Mouth Disease Virus complexed with RNA
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Verdaguer, N, Ferrer-Orta, C, de la Higuera, N.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
6VGN
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BU of 6vgn by Molmil
ClpP1P2 complex from M. tuberculosis bound to ADEP
Descriptor: ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, R0M-WFP-ALO-PRO-YCP-ALA-MP8
Authors:Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-08
Release date:2020-03-18
Last modified:2020-04-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
4X2B
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BU of 4x2b by Molmil
K20A RNA dependent RNA polymerase mutant from Foot-and-Mouth disease Virus complexed with an RNA
Descriptor: MAGNESIUM ION, RNA dependent RNA polymerase, RNA primer, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-26
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
6W4Y
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BU of 6w4y by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with hydantoin stabilizer
Descriptor: 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide, GLYCEROL, JTO light chain, ...
Authors:Yan, N.L, Morgan, G.J, Kelly, J.W.
Deposit date:2020-03-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for the stabilization of amyloidogenic immunoglobulin light chains by hydantoins.
Bioorg.Med.Chem.Lett., 30, 2020
5AQ0
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BU of 5aq0 by Molmil
The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D
Descriptor: CARBOXYPEPTIDASE D, GLYCEROL
Authors:Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D.
Deposit date:2015-09-18
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The Structure of the Ttldomain of the Human Carboxypeptidase D
To be Published
7Q3E
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BU of 7q3e by Molmil
Structure of the mouse CPLANE-RSG1 complex
Descriptor: Ciliogenesis and planar polarity effector 2, GUANOSINE-5'-TRIPHOSPHATE, Protein fuzzy homolog, ...
Authors:Langousis, G, Cavadini, S, Kempf, G, Matthias, P.
Deposit date:2021-10-27
Release date:2022-04-06
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of the ciliogenesis-associated CPLANE complex.
Sci Adv, 8, 2022
7Q3D
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BU of 7q3d by Molmil
Structure of the human CPLANE complex
Descriptor: Protein fuzzy homolog, Protein inturned, WD repeat-containing and planar cell polarity effector protein fritz homolog
Authors:Langousis, G, Cavadini, S, Kempf, G, Matthias, P.
Deposit date:2021-10-27
Release date:2022-04-06
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of the ciliogenesis-associated CPLANE complex.
Sci Adv, 8, 2022
7NVP
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BU of 7nvp by Molmil
Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
Authors:Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
Deposit date:2021-03-15
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
7OGG
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BU of 7ogg by Molmil
Nse5/6 complex
Descriptor: DNA repair protein KRE29,DNA repair protein KRE29,DNA repair protein KRE29, Non-structural maintenance of chromosome element 5,Non-structural maintenance of chromosome element 5,Non-structural maintenance of chromosome element 5
Authors:Basquin, J, Taschner, M, Gruber, S.
Deposit date:2021-05-06
Release date:2021-07-07
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Nse5/6 inhibits the Smc5/6 ATPase and modulates DNA substrate binding.
Embo J., 40, 2021
6AMF
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BU of 6amf by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2017-08-09
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair.
J Phys Chem B, 122, 2018
6B8R
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BU of 6b8r by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36Q at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Benning, M.
Deposit date:2017-10-09
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair.
J Phys Chem B, 122, 2018
3ITP
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BU of 3itp by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K at cryogenic temperature
Descriptor: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Khangulov, V.S, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B.
Deposit date:2009-08-28
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS F34K at cryogenic temperature
To be Published
3PMF
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BU of 3pmf by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Clark, I, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
Deposit date:2010-11-16
Release date:2011-11-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
6GVV
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BU of 6gvv by Molmil
Mutant M16A of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus
Descriptor: GLYCEROL, RNA polymerase 3D
Authors:Verdaguer, N, Ferrer Orta, C.
Deposit date:2018-06-21
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Contribution of a Multifunctional Polymerase Region of Foot-and-Mouth Disease Virus to Lethal Mutagenesis.
J.Virol., 92, 2018
3R3O
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BU of 3r3o by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature and with high redundancy
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2011-03-16
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NK9
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BU of 3nk9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74A at cryogenic temperature
Descriptor: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
Deposit date:2010-06-18
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
6GVY
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BU of 6gvy by Molmil
Mutant M16A of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with an template -primer RNA
Descriptor: GLYCEROL, Genome polyprotein, RNA (5'-R(P*CP*CP*GP*GP*G)-3'), ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2018-06-21
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contribution of a Multifunctional Polymerase Region of Foot-and-Mouth Disease Virus to Lethal Mutagenesis.
J. Virol., 92, 2018
8TCR
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BU of 8tcr by Molmil
Structure of glucose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
Descriptor: COBALT (II) ION, MALONATE ION, Sugar phosphate isomerase, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TCD
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BU of 8tcd by Molmil
Structure of Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
Descriptor: ACETATE ION, COBALT (II) ION, GLYCEROL, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-06-30
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024

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