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2GLT
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BU of 2glt by Molmil
STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 6.0.
Descriptor: GLUTATHIONE BIOSYNTHETIC LIGASE
Authors:Matsuda, K, Yamaguchi, H, Kato, H, Nishioka, T, Katsube, Y, Oda, J.
Deposit date:1995-05-16
Release date:1995-07-31
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
3KLR
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BU of 3klr by Molmil
Bovine H-protein at 0.88 angstrom resolution
Descriptor: GLYCEROL, Glycine cleavage system H protein, SULFATE ION
Authors:Higashiura, A, Kurakane, T, Matsuda, M, Suzuki, M, Inaka, K, Sato, M, Tanaka, H, Fujiwara, K, Nakagawa, A.
Deposit date:2009-11-09
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:High-resolution X-ray crystal structure of bovine H-protein at 0.88 A resolution
Acta Crystallogr.,Sect.D, 66, 2010
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-05-02
Release date:2017-08-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LBR
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BU of 5lbr by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA
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:Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-17
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5K5B
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BU of 5k5b by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 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, ...
Authors:Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S.
Deposit date:2016-05-23
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5L8M
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BU of 5l8m by Molmil
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
8H1J
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BU of 8h1j by Molmil
Cryo-EM structure of the TnpB-omegaRNA-target DNA ternary complex
Descriptor: Non-target strand, RNA-guided DNA endonuclease TnpB, Target strand, ...
Authors:Nakagawa, R, Hirano, H, Omura, S, Nureki, O.
Deposit date:2022-10-03
Release date:2023-04-12
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the transposon-associated TnpB enzyme.
Nature, 616, 2023
8I2Z
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BU of 8i2z by Molmil
Cryo-EM structure of the zeaxanthin-bound kin4B8
Descriptor: RETINAL, Xanthorhodopsin, Zeaxanthin
Authors:Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
Deposit date:2023-01-15
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
6OHD
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BU of 6ohd by Molmil
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
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-11-02
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UM1
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BU of 5um1 by Molmil
XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2017-01-25
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6PU2
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BU of 6pu2 by Molmil
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
6PTQ
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BU of 6ptq by Molmil
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
7F8T
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BU of 7f8t by Molmil
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
5WR2
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BU of 5wr2 by Molmil
Thermolysin, SFX liganded form with oil-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 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
5WR4
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BU of 5wr4 by Molmil
Thermolysin, SFX unliganded form with oil-based carrier
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
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
5WR5
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BU of 5wr5 by Molmil
Thermolysin, liganded form with cryo condition 1
Descriptor: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, TETRAETHYLENE GLYCOL, ...
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 (1.9 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
5WR3
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BU of 5wr3 by Molmil
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
5WR6
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BU of 5wr6 by Molmil
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
8K65
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BU of 8k65 by Molmil
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
8K6Y
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BU of 8k6y by Molmil
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
4PK5
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BU of 4pk5 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kohno, T, Tojo, S, Ishii, T.
Deposit date:2014-05-13
Release date:2014-09-03
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4PK6
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BU of 4pk6 by Molmil
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
6CKX
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BU of 6ckx by Molmil
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
Authors:Klein, M.G.
Deposit date:2018-03-01
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
8AJZ
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BU of 8ajz by Molmil
Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser
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, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G.
Deposit date:2022-07-29
Release date:2023-08-16
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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