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7RF2
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BU of 7rf2 by Molmil
RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF8
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RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF3
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BU of 7rf3 by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF7
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BU of 7rf7 by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF5
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RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF1
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BU of 7rf1 by Molmil
RT XFEL structure of Photosystem II averaged across all S-states at 1.89 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7T1J
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BU of 7t1j by Molmil
Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D.
登録日2021-12-02
公開日2022-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
7T1C
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BU of 7t1c by Molmil
Crystal structure of RUBISCO from Sulfurivirga caldicuralii
分子名称: Ribulose-bisphosphate carboxylase
著者Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D.
登録日2021-12-01
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
3KFK
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BU of 3kfk by Molmil
Crystal structures of a group II chaperonin from Methanococcus maripaludis
分子名称: Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D.
登録日2009-10-27
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (6.003 Å)
主引用文献Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
3MMU
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BU of 3mmu by Molmil
Crystal structure of endoglucanase Cel5A from the hyperthermophilic Thermotoga maritima
分子名称: CADMIUM ION, Endoglucanase, NICKEL (II) ION
著者Pereira, J.H, Chen, Z, McAndrew, R.P, Sapra, R, Chhabra, S.R, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2010-04-20
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Biochemical characterization and crystal structure of endoglucanase Cel5A from the hyperthermophilic Thermotoga maritima.
J.Struct.Biol., 172, 2010
3KFB
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BU of 3kfb by Molmil
Crystal structure of a group II chaperonin from Methanococcus maripaludis
分子名称: Chaperonin, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D.
登録日2009-10-27
公開日2010-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
3KFE
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BU of 3kfe by Molmil
Crystal structures of a group II chaperonin from Methanococcus maripaludis
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION, ...
著者Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D.
登録日2009-10-27
公開日2010-06-23
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
2KB0
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BU of 2kb0 by Molmil
Cdc42(T35A)
分子名称: Cell division control protein 42 homolog
著者Adams, P.D, Oswald, R.E, McFeeters, R.
登録日2008-11-18
公開日2009-12-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Cdc42(T35A)
To be Published
5MJL
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BU of 5mjl by Molmil
Single-shot pink beam serial crystallography: Proteinase K
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
登録日2016-12-01
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.21013784 Å)
主引用文献Pink-beam serial crystallography.
Nat Commun, 8, 2017
9EM1
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BU of 9em1 by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate
分子名称: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ...
著者Brenner, M, Gohla, A, Schindelin, H.
登録日2024-03-07
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-07-22
公開日2023-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
分子名称: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6HLK
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BU of 6hlk by Molmil
Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
分子名称: Redirecting phage packaging protein C (RppC)
著者Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
登録日2018-09-11
公開日2019-07-31
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
分子名称: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
分子名称: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8AKM
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BU of 8akm by Molmil
Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKK
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Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKL
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Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023

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