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8EBI
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BU of 8ebi by Molmil
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8ECF
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BU of 8ecf by Molmil
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.736 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBR
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BU of 8ebr by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
Descriptor: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
6RFU
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BU of 6rfu by Molmil
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCQ
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BU of 8gcq by Molmil
SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Yeh, S.-R, Rousseau, D.L.
Deposit date:2023-03-02
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
5JD2
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BU of 5jd2 by Molmil
SFX structure of corestreptavidin-selenobiotin complex
Descriptor: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid, Streptavidin
Authors:DeMirci, H, Hunter, M.S, Boutet, S.
Deposit date:2016-04-15
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser.
Nat Commun, 7, 2016
7CWB
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BU of 7cwb by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)
Descriptor: 3C-like proteinase
Authors:DeMirci, H.
Deposit date:2020-08-27
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
7CWC
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BU of 7cwc by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)
Descriptor: 3C-like proteinase
Authors:DeMirci, H.
Deposit date:2020-08-27
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5ZTK
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BU of 5ztk by Molmil
Synchrotron structure of light-driven chloride pump having an NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Park, J.H, Park, S.Y, Lee, W.
Deposit date:2018-05-04
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
5ZTL
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BU of 5ztl by Molmil
Non-cryogenic structure of light-driven chloride pump having an NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Park, S.Y, Liu, H, Lee, W.
Deposit date:2018-05-04
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
7VJZ
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BU of 7vjz by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 1.90 A resolution-7
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Tokay, N.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK7
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BU of 7vk7 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 2.4 A resolution-11
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Dag, C.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK0
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BU of 7vk0 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-6
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Cakilkaya, B.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK2
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BU of 7vk2 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 2.0 A resolution -9
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Gul, M.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK1
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BU of 7vk1 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 1.93 A resolution-5
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Ertem, B.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK8
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BU of 7vk8 by Molmil
Crystal structure of SARS-CoV-2 Mpro at 2.4 A Resolution
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Usta, G.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK6
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BU of 7vk6 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 2.25 A resolution-13
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Yuksel, B.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VJY
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BU of 7vjy by Molmil
Crystal Structure of Sars-Cov-2 Mpro at 1.90 A resolution-1
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Johnson, A.J.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK3
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BU of 7vk3 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-2
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Guven, O.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021

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