7VGU
 
 | | Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3 : structure obtained 1 msec after photoexcitation with bromide ion | | Descriptor: | BROMIDE ION, Chloride pumping rhodopsin, DECANE, ... | | Authors: | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2021-09-18 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGT
 | | Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3: resting state structure with bromide ion | | Descriptor: | BROMIDE ION, Chloride pumping rhodopsin, DECANE, ... | | Authors: | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2021-09-18 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGV
 | | Anion free form of light-driven chloride ion-pumping rhodopsin, NM-R3, structure determined by serial femtosecond crystallography at SACLA | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, HEXADECANE, ... | | Authors: | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2021-09-18 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6OHD
 | | P38 in complex with T-3220137 | | Descriptor: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2019-04-05 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
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8XBE
 | | Human GPR34 -Gi complex bound to S3E-LysoPS | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Kawahara, R, Shihoya, W, Nureki, O. | | Deposit date: | 2023-12-06 | | Release date: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for lysophosphatidylserine recognition by GPR34.
Nat Commun, 15, 2024
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8XBG
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5L8M
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome | | Authors: | Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S. | | Deposit date: | 2016-06-08 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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6PU2
 | | Dark, Mutant H275T , 100K, PCM Myxobacterial Phytochrome, P2 | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Pandey, S, Schmidt, M, Stojkovic, E.A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
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6PTQ
 | | Dark, Room Temperature, PCM Myxobacterial Phytochrome, P2, Wild Type | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP | | Authors: | Pandey, S, Schmidt, M, Stojkovic, E.A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
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6PTX
 | | Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type, | | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Pandey, S, Schmidt, M, Stojkovic, E.A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
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7F8K
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7F8T
 | | Re-refinement of the 2XRY X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei | | Descriptor: | Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-07-02 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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8K65
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Zoric, D, Sandelin, E, Nango, E, Tanaka, R, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2023-07-25 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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4PK6
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative | | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kohno, T, Tojo, S, Ishii, T, Kamioka, S. | | Deposit date: | 2014-05-13 | | Release date: | 2014-09-03 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
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3VJN
 | | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. | | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | | Deposit date: | 2011-10-27 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor.
Oncogene, 32, 2013
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7VJ8
 | | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the oxidized state | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJ6
 | | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the semiquinone state | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJ7
 | | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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3VHV
 | | Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist | | Descriptor: | 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ... | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2011-09-07 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
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3CLN
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8K6Y
 | | Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2023-07-25 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8XBI
 | | Human GPR34 -Gi complex bound to M1, receptor focused | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Probable G-protein coupled receptor 34 | | Authors: | Kawahara, R, Shihoya, W, Nureki, O. | | Deposit date: | 2023-12-06 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis for lysophosphatidylserine recognition by GPR34.
Nat Commun, 15, 2024
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8XBH
 | | Human GPR34 -Gi complex bound to M1 | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Kawahara, R, Shihoya, W, Nureki, O. | | Deposit date: | 2023-12-06 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural basis for lysophosphatidylserine recognition by GPR34.
Nat Commun, 15, 2024
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5WR3
 | | Thermolysin, SFX liganded form with water-based carrier | | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | | Deposit date: | 2016-11-29 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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5WR6
 | | Thermolysin, liganded form with cryo condition 2 | | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | | Deposit date: | 2016-11-29 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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