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7O8N
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BU of 7o8n by Molmil
NmHR light state structure at 7.5 ms (5 - 10 ms) after photoexcitation determined by serial millisecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8S
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BU of 7o8s by Molmil
NmHR light state structure at 32.5 ms (30 - 35 ms) after photoexcitation determined by serial millisecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
1F9N
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BU of 1f9n by Molmil
CRYSTAL STRUCTURE OF AHRC, THE ARGININE REPRESSOR/ACTIVATOR PROTEIN FROM BACILLUS SUBTILIS
Descriptor: ARGININE REPRESSOR/ACTIVATOR PROTEIN
Authors:Dennis, C.A, Glykos, N.M, Parsons, M.R, Phillips, S.E.V.
Deposit date:2000-07-11
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of AhrC, the arginine repressor/activator protein from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 58, 2002
7O8G
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BU of 7o8g by Molmil
NmHR light state structure at 10 ps after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8O
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BU of 7o8o by Molmil
NmHR light state structure at 12.5 ms (10 - 15 ms) after photoexcitation determined by serial millisecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8Y
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BU of 7o8y by Molmil
Anomalous bromide substructure of NmHR under dark state conditions determined at 13.7 keV with serial crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BROMIDE ION, Chloride pumping rhodopsin, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8U
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BU of 7o8u by Molmil
NmHR light state structure at 45 ms (40 - 50 ms) after photoexcitation determined by serial millisecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8J
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BU of 7o8j by Molmil
NmHR light state structure at 20 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7TB9
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BU of 7tb9 by Molmil
Structural characterization of the biological synthetic peptide pCEMP1
Descriptor: CEMP1-p1
Authors:Lopez Giraldo, A, del Rio Portilla, F, Nidome Campos, M, Romo Arevalo, E, Arzate, H.
Deposit date:2021-12-21
Release date:2023-01-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of cementum protein 1 derived peptide (CEMP1-p1) and its role in the mineralization process.
J.Pept.Sci., 29, 2023
7O8L
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BU of 7o8l by Molmil
NmHR dark state structure determined by serial millisecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
Authors:Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
Deposit date:2021-04-15
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7OG9
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BU of 7og9 by Molmil
GTPase HRAS under ambient pressure
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R.
Deposit date:2021-05-06
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGB
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BU of 7ogb by Molmil
GTPase HRAS under 500 MPa pressure
Descriptor: GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
Deposit date:2021-05-06
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGF
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BU of 7ogf by Molmil
GTPase HRAS mutant D33K under 900 MPa pressure
Descriptor: GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
Deposit date:2021-05-06
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
7OGE
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BU of 7oge by Molmil
GTPase HRAS mutant D33K under 200 MPa pressure
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R.
Deposit date:2021-05-06
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
6N7U
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BU of 6n7u by Molmil
apo-BDBV223 Fab
Descriptor: BDBV223 antibody heavy chain, BDBV223 antibody light chain
Authors:King, L.B, West, B.R, Saphire, E.O.
Deposit date:2018-11-28
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Cross-reactive neutralizing human survivor monoclonal antibody BDBV223 targets the ebolavirus stalk.
Nat Commun, 10, 2019
6F2F
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BU of 6f2f by Molmil
Crystal structure of Protease 1 from Pyrococcus Horikoshii co-cystallized in presence of 10 mM Tb-Xo4 and ammonium sulfate.
Descriptor: Deglycase PH1704, Dihydroxyacetone, SULFATE ION, ...
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Franzetti, B, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
7T6E
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BU of 7t6e by Molmil
Cryo-EM of NBD-ffsy filaments (class 1)
Descriptor: NBD-ffsy peptide
Authors:Wang, F, Guo, J, Xu, B, Egelman, E.H.
Deposit date:2021-12-13
Release date:2023-01-25
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
6MNA
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BU of 6mna by Molmil
Crystal structure of LpqN involved in cell envelope biogenesis of Mycobacterium tuberculosis
Descriptor: Probable conserved lipoprotein LpqN, alpha-D-glucopyranose-(1-1)-6-O-decanoyl-alpha-D-glucopyranose
Authors:Rajavel, M, Su, C.C, Yu, E.W.
Deposit date:2018-10-01
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and functional evidence that lipoprotein LpqN supports cell envelope biogenesis inMycobacterium tuberculosis.
J.Biol.Chem., 294, 2019
8CYR
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BU of 8cyr by Molmil
Alpha-synuclein fibril from spontaneous control
Descriptor: Alpha-synuclein
Authors:Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A.
Deposit date:2022-05-24
Release date:2023-05-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Distinct cryo-EM structures and functions of alpha-synuclein fibrils amplified from cerebrospinal fluid
To Be Published
7NTQ
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BU of 7ntq by Molmil
Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
7NTT
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BU of 7ntt by Molmil
Crystal structure of the SARS-CoV-2 Main Protease
Descriptor: 3C-like proteinase, FORMIC ACID, SODIUM ION
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Crystal structure of the SARS-CoV-2 Main Protease
To Be Published
5G2B
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BU of 5g2b by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008
Descriptor: CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ...
Authors:Singh, A.K, Anthonyrajah, E.S, Brown, D.G.
Deposit date:2016-04-07
Release date:2017-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
7NTW
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BU of 7ntw by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.815 Å)
Cite:Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
To Be Published
4QPB
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BU of 4qpb by Molmil
Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate
Descriptor: 1,2-ETHANEDIOL, Lysostaphin, ZINC ION
Authors:Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M.
Deposit date:2014-06-22
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
3KFL
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BU of 3kfl by Molmil
Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-10-27
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate.
Biochimie, 93, 2011

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