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8ER7
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BU of 8er7 by Molmil
FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
分子名称: (S)-hydroxynitrile lyase
著者Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
登録日2022-10-19
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献to be published
To Be Published
8C4W
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BU of 8c4w by Molmil
Crystal structure of rat autotaxin and compound MEY-002
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2023-01-05
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2022-12-28
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C7R
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BU of 8c7r by Molmil
Crystal structure of rat autotaxin and compound MEY-003
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A.
登録日2023-01-17
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
分子名称: AlpA family phage regulatory protein
著者Smyshlyaev, G, Arinkin, V, Barabas, O.
登録日2022-12-28
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
8SCA
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BU of 8sca by Molmil
Rec3 Domain from S. pyogenes Cas9
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1
著者D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G.
登録日2023-04-05
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
8SBH
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BU of 8sbh by Molmil
YeiE effector binding domain from E. coli
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E.
登録日2023-04-03
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
著者Adams, R, Lawson, A.D.G.
登録日2024-01-31
公開日2024-04-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition.
J Invest Dermatol., 2024
8SXS
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BU of 8sxs by Molmil
Crystal structure of a Nudix hydrolase effector from Magnaporthe oryzae
分子名称: Nudix hydrolase domain-containing protein
著者McCombe, C.L, Ericsson, D.J, Williams, S.J.
登録日2023-05-23
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Plant pathogenic fungi hijack phosphate starvation signaling with conserved enzymatic effectors
Biorxiv, 2023
8TIS
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BU of 8tis by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates.
分子名称: DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TJ0
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BU of 8tj0 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIQ
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BU of 8tiq by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates.
分子名称: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
To Be Published
8TIU
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BU of 8tiu by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIP
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BU of 8tip by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIX
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BU of 8tix by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIR
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BU of 8tir by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIZ
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BU of 8tiz by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIV
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BU of 8tiv by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIY
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BU of 8tiy by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TJ1
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BU of 8tj1 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIT
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BU of 8tit by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIW
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BU of 8tiw by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSX
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BU of 8tsx by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023

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