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6YOB
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BU of 6yob by Molmil
Structure of Lysozyme from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOG
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BU of 6yog by Molmil
Structure of PepTSt from COC IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
4JBQ
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BU of 4jbq by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: Aurora Kinase A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JBO
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BU of 4jbo by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora kinase A
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JBP
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BU of 4jbp by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora Kinase A
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
6Y42
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BU of 6y42 by Molmil
Crystal Structure of RsrR complexed to a 39 basepair DNA fragment of the rsrR promoter
Descriptor: DNA (39-MER), FE2/S2 (INORGANIC) CLUSTER, Rrf2 family transcriptional regulator
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
6Y45
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BU of 6y45 by Molmil
Crystal Structure of the H33A variant of RsrR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rohac, R, Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
7B0O
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BU of 7b0o by Molmil
In meso structure of the membrane integral lipoprotein intramolecular transacylase Lit from Bacillus cereus in space group P21
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Huang, C.-Y, Olatunji, S, Olieric, V, Caffrey, M.
Deposit date:2020-11-20
Release date:2021-05-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis.
Nat Commun, 12, 2021
7B0P
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BU of 7b0p by Molmil
In meso structure of the membrane integral lipoprotein intramolecular transacylase Lit from Bacillus cereus in space group P21212
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, GLYCEROL, ...
Authors:Huang, C.-Y, Olatunji, S, Olieric, V, Caffrey, M.
Deposit date:2020-11-20
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis.
Nat Commun, 12, 2021
7B0Q
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BU of 7b0q by Molmil
In meso structure of the membrane integral lipoprotein intramolecular transacylase Lit from Bacillus cereus with H85A mutation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CITRIC ACID, ...
Authors:Huang, C.-Y, Olatunji, S, Olieric, V, Caffrey, M.
Deposit date:2020-11-20
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis.
Nat Commun, 12, 2021
7B0R
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BU of 7b0r by Molmil
In meso structure of the membrane integral lipoprotein intramolecular transacylase Lit from Bacillus cereus with H85R mutation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Huang, C.-Y, Olatunji, S, Olieric, V, Caffrey, M.
Deposit date:2020-11-20
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis.
Nat Commun, 12, 2021
7QU5
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BU of 7qu5 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QTY
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BU of 7qty by Molmil
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Descriptor: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU3
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BU of 7qu3 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Descriptor: 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU0
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BU of 7qu0 by Molmil
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ...
Authors:Stegmann, D, Steuber, J, Fritz, G.
Deposit date:2022-01-17
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7BET
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BU of 7bet by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
Authors:Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B.
Deposit date:2020-12-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
Descriptor: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
Authors:Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
Deposit date:2020-10-29
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
6MSY
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BU of 6msy by Molmil
Anti-HIV-1 Fab Fab 2G12 + Man4 re-refinement
Descriptor: ACETATE ION, Fab 2G12, light chain, ...
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-10-18
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
6MUB
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BU of 6mub by Molmil
Anti-HIV-1 Fab 2G12 + Man5 re-refinement
Descriptor: Fab 2G12, heavy chain, light chain, ...
Authors:Wilson, I.A, Calarese, D.A, Stanfield, R.L.
Deposit date:2018-10-22
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc.Natl.Acad.Sci.USA, 102, 2005
6MNF
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BU of 6mnf by Molmil
Anti-HIV-1 Fab 2G12 + Man8 re-refinement
Descriptor: Fab 2G12, light chain, Fab 2g12, ...
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.758 Å)
Cite:Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
6MU3
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BU of 6mu3 by Molmil
Anti-HIV-1 Fab 2G12 + Man7 re-refinement
Descriptor: Fab 2G12, heavy chain, light chain, ...
Authors:Wilson, I.A, Calarese, D.A, Stanfield, R.L.
Deposit date:2018-10-22
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.327 Å)
Cite:Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
8HHH
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BU of 8hhh by Molmil
The bacterial divisome protein complex FtsB-FtsL-FtsQ
Descriptor: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-11-16
Release date:2023-04-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
8HHG
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BU of 8hhg by Molmil
The bacterial divisome protein complex FtsB-FtsL-FtsQ
Descriptor: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-11-16
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
8HHF
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BU of 8hhf by Molmil
The bacterial divisome protein complex FtsB-FtsL-FtsQ
Descriptor: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-11-16
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
6JRX
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BU of 6jrx by Molmil
EGFR T790M/C797S in complex with compound 6i
Descriptor: Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-06
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020

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PDB entries from 2024-07-17

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