2EIL
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![BU of 2eil by Molmil](/molmil-images/mine/2eil) | Cadmium ion binding structure of bovine heart cytochrome C oxidase in the fully oxidized state | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EIN
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![BU of 2ein by Molmil](/molmil-images/mine/2ein) | Zinc ion binding structure of bovine heart cytochrome C oxidase in the fully oxidized state | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EIJ
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![BU of 2eij by Molmil](/molmil-images/mine/2eij) | Bovine heart cytochrome C oxidase in the fully reduced state | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EIM
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![BU of 2eim by Molmil](/molmil-images/mine/2eim) | Zinc ion binding structure of bovine heart cytochrome C oxidase in the fully reduced state | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EIK
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![BU of 2eik by Molmil](/molmil-images/mine/2eik) | Cadmium ion binding structure of bovine heart cytochrome C oxidase in the fully reduced state | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-O, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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6C05
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![BU of 6c05 by Molmil](/molmil-images/mine/6c05) | Mycobacterium tuberculosis RNAP Holo/RbpA in relaxed state | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | Deposit date: | 2017-12-27 | Release date: | 2018-03-28 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (5.15 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6C04
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![BU of 6c04 by Molmil](/molmil-images/mine/6c04) | Mtb RNAP Holo/RbpA/double fork DNA -closed clamp | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | Deposit date: | 2017-12-27 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6C06
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![BU of 6c06 by Molmil](/molmil-images/mine/6c06) | Mycobacterium tuberculosis RNAP Holo/RbpA/Fidaxomicin | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | Deposit date: | 2017-12-27 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.15 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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6EEC
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![BU of 6eec by Molmil](/molmil-images/mine/6eec) | Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter captured by Corallopyronin | Descriptor: | DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2018-08-13 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding. Nature, 565, 2019
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6EDT
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![BU of 6edt by Molmil](/molmil-images/mine/6edt) | Mycobacterium tuberculosis RNAP open promoter complex with RbpA/CarD and AP3 promoter | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2018-08-10 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding. Nature, 565, 2019
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6M7J
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![BU of 6m7j by Molmil](/molmil-images/mine/6m7j) | Mycobacterium tuberculosis RNAP with RbpA/us fork and Corallopyronin | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2018-08-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding. Nature, 565, 2019
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6EE8
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![BU of 6ee8 by Molmil](/molmil-images/mine/6ee8) | Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter | Descriptor: | DNA (60-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2018-08-13 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding. Nature, 565, 2019
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6BZO
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![BU of 6bzo by Molmil](/molmil-images/mine/6bzo) | Mtb RNAP Holo/RbpA/Fidaxomicin/upstream fork DNA | Descriptor: | DNA (26-MER), DNA (32-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2017-12-25 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts. Elife, 7, 2018
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5EP1
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![BU of 5ep1 by Molmil](/molmil-images/mine/5ep1) | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain | Descriptor: | ACETATE ION, Putative repressor protein luxO | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2015-11-11 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO. Plos Biol., 14, 2016
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5EP4
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![BU of 5ep4 by Molmil](/molmil-images/mine/5ep4) | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2015-11-11 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO. Plos Biol., 14, 2016
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5EP3
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![BU of 5ep3 by Molmil](/molmil-images/mine/5ep3) | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain Bound to CV-133 Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2015-11-11 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO. Plos Biol., 14, 2016
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5EP2
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![BU of 5ep2 by Molmil](/molmil-images/mine/5ep2) | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain in Complex with AzaU Inhibitor | Descriptor: | 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate, ACETATE ION, Putative repressor protein luxO | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2015-11-11 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO. Plos Biol., 14, 2016
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5EP0
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![BU of 5ep0 by Molmil](/molmil-images/mine/5ep0) | Quorum-Sensing Signal Integrator LuxO - Receiver+Catalytic Domains | Descriptor: | 1,2-ETHANEDIOL, Putative repressor protein luxO, SULFATE ION | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2015-11-11 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO. Plos Biol., 14, 2016
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3W0T
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![BU of 3w0t by Molmil](/molmil-images/mine/3w0t) | Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ... | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate To be Published
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3W0U
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![BU of 3w0u by Molmil](/molmil-images/mine/3w0u) | human Glyoxalase I with an N-hydroxypyridone inhibitor | Descriptor: | Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | Deposit date: | 2012-11-02 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate to be published
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7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/7c3g) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2020-05-12 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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1OCO
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![BU of 1oco by Molmil](/molmil-images/mine/1oco) | |
1OCZ
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![BU of 1ocz by Molmil](/molmil-images/mine/1ocz) | |
1OCR
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![BU of 1ocr by Molmil](/molmil-images/mine/1ocr) | |
6ACR
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![BU of 6acr by Molmil](/molmil-images/mine/6acr) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | Descriptor: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2018-07-27 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H). Chem. Pharm. Bull., 67, 2019
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