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5FZC
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BU of 5fzc by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-14
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZL
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BU of 5fzl by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-14
公開日2016-04-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FYV
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BU of 5fyv by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with oxaloacetate
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-03-10
公開日2017-03-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Oxaloacetate
To be Published
5FZE
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BU of 5fze by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3960
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
登録日2016-03-14
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3960
To be Published
5FZ6
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BU of 5fz6 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-CARBOXYPIPERIDINE, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-11
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FY5
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Crystal structure of the catalytic domain of human JARID1B in complex with fumarate
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-03-04
公開日2017-03-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Fumarate
To be Published
5FY4
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BU of 5fy4 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with succinate
分子名称: 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-03-04
公開日2017-03-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Succinate
To be Published
5FY9
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BU of 5fy9 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with pyruvate
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-03-04
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Pyruvate
To be Published
2Y26
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BU of 2y26 by Molmil
Transmission defective mutant of Grapevine Fanleaf virus
分子名称: COAT PROTEIN
著者Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
登録日2010-12-13
公開日2011-06-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
9GPS
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BU of 9gps by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/p
分子名称: 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPT
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BU of 9gpt by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/k
分子名称: 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPM
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BU of 9gpm by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/i
分子名称: 3-cyclohexyl-17,18-dimethoxy-11,15-dioxa-1,18lambda4-dithia-5-aza-17lambda4-polonapentacyclo[15.4.0.04,9.013,18.018,23]henicosane-2,12-dione, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPW
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BU of 9gpw by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12f/j
分子名称: 2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPR
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BU of 9gpr by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12h/m
分子名称: 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-19lambda4-thia-5-aza-18-stannapentacyclo[15.7.0.01,10.010,10.018,23]tetracosa-13,20-diene-4,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPY
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BU of 9gpy by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12g/j
分子名称: 1,2-ETHANEDIOL, 2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
5FZ9
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BU of 5fz9 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment thieno(3,2-b)thiophene-5-carboxylic acid (N06263b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-12
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
分子名称: Nanobody, RNA2 polyprotein
著者Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
登録日2015-11-22
公開日2016-01-20
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
6GYO
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BU of 6gyo by Molmil
Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2018-06-30
公開日2019-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
To Be Published
5FZG
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BU of 5fzg by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3948
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
登録日2016-03-14
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
4Y7B
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BU of 4y7b by Molmil
Factor Xa complex with GTC000441
分子名称: 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Factor Xa complex with GTC000441
to be published
5FZA
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BU of 5fza by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (N10072a) (ligand modelled based on PANDDA event map)
分子名称: 1,2-ETHANEDIOL, 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-12
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map)
To be Published
5FYY
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BU of 5fyy by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3-pyridin-3-ylaniline (N05798a) (ligand modelled based on PANDDA event map)
分子名称: 1,2-ETHANEDIOL, 3-(pyridin-3-yl)aniline, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Pearce, N, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N05798A
To be Published
7PXZ
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BU of 7pxz by Molmil
Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase nsp5, CHLORIDE ION
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-08
公開日2023-01-18
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
7PZQ
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BU of 7pzq by Molmil
Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-13
公開日2023-01-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
1KYA
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BU of 1kya by Molmil
ACTIVE LACCASE FROM TRAMETES VERSICOLOR COMPLEXED WITH 2,5-XYLIDINE
分子名称: 2,5-DIMETHYLANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Bertrand, T, Jolivalt, C, Briozzo, P, Caminade, E, Joly, N, Madzak, C, Mougin, C.
登録日2002-02-04
公開日2002-06-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics.
Biochemistry, 41, 2002

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件を2025-07-16に公開中

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