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8A0C
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BU of 8a0c by Molmil
Capsular polysaccharide synthesis multienzyme in complex with CMP
分子名称: Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
著者Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T.
登録日2022-05-27
公開日2023-04-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
8A0M
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Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment
分子名称: Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate
著者Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T.
登録日2022-05-29
公開日2023-04-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
8QOY
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Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3
分子名称: SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION
著者Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E.
登録日2023-09-29
公開日2024-07-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Transition transferases prime bacterial capsule polymerization.
Nat.Chem.Biol., 2024
4BGH
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BU of 4bgh by Molmil
Crystal Structure of CDK2 in complex with pan-CDK Inhibitor
分子名称: 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE, CYCLIN-DEPENDENT KINASE 2
著者Luecking, U, Jautelat, R, Krueger, M, Brumby, T, Lienau, P, Schaefer, M, Briem, H, Schulze, J, Hillisch, A, Reichel, A, Siemeister, G.
登録日2013-03-26
公開日2013-09-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Lab Oddity Prevails: Discovery of Pan-Cdk Inhibitor (R)- S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-Hydroxy-1-Methylpropyl]Oxy}-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}Phenyl)Sulfoximide (Bay 1000394) for the Treatment of Cancer.
Chemmedchem, 8, 2013
4AC5
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BU of 4ac5 by Molmil
Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R.
登録日2011-12-14
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (8.2 Å)
主引用文献Lipidic Phase Membrane Protein Serial Femtosecond Crystallography.
Nat.Methods, 9, 2012
8QFG
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Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFF
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Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-11
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFE
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BU of 8qfe by Molmil
Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC
分子名称: FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, MAGNESIUM ION
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFH
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Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFJ
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BU of 8qfj by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFI
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BU of 8qfi by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
3PCQ
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BU of 3pcq by Molmil
Femtosecond X-ray protein Nanocrystallography
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H.
登録日2010-10-21
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (8.984 Å)
主引用文献Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
5AHV
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BU of 5ahv by Molmil
Cryo-EM structure of helical ANTH and ENTH tubules on PI(4,5)P2-containing membranes
分子名称: ANTH DOMAIN OF ENDOCYTIC ADAPTOR SLA2, ENTH DOMAIN OF EPSIN ENT1
著者Skruzny, M, Desfosses, A, Prinz, S, Dodonova, S.O, Gieras, A, Uetrecht, C, Jakobi, A.J, Abella, M, Hagen, W.J.H, Schulz, J, Meijers, R, Rybin, V, Briggs, J.A.G, Sachse, C, Kaksonen, M.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (13.6 Å)
主引用文献An Organized Co-Assembly of Clathrin Adaptors is Essential for Endocytosis.
Dev.Cell, 33, 2015
2KO2
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BU of 2ko2 by Molmil
NOGO66
分子名称: Reticulon-4
著者Cocco, M.J, Schulz, J, Vasudevan, S.V.
登録日2009-09-08
公開日2010-04-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Protein folding at the membrane interface, the structure of Nogo-66 requires interactions with a phosphocholine surface.
Proc.Natl.Acad.Sci.USA, 107, 2010
5K8Y
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BU of 5k8y by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
著者Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
登録日2016-05-31
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
5M62
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BU of 5m62 by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain in complex with glucose
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
著者Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
登録日2016-10-24
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
3GK9
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BU of 3gk9 by Molmil
Crystal structure of murine Ngb under Xe pressure
分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Moschetti, T, Mueller, U, Schultze, J, Brunori, M, Vallone, B.
登録日2009-03-10
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.
Biophys. J., 97, 2009
3GLN
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Carbonmonoxy Ngb under Xenon pressure
分子名称: CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Moschetti, T, Mueller, U, Schultze, J, Brunori, M, Vallone, B.
登録日2009-03-12
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.
Biophys. J., 97, 2009
3GKT
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BU of 3gkt by Molmil
Crystal structure of murine neuroglobin under Kr pressure
分子名称: KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Moschetti, T, Mueller, U, Schultze, J, Brunori, M, Vallone, B.
登録日2009-03-11
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.
Biophys. J., 97, 2009
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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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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2024-07-31
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
8TU3
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Bruton's tyrosine kinase in complex with covalent inhibitor compound 10
分子名称: 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK
著者Metrick, C.M.
登録日2023-08-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU4
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Bruton's tyrosine kinase in complex with covalent inhibitor compound 25
分子名称: N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK
著者Metrick, C.M.
登録日2023-08-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024

 

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