7QLO
 
 | | rsKiiro pump dump probe structure by TR-SFX | | Descriptor: | rsKiiro | | Authors: | van Thor, J.J. | | Deposit date: | 2021-12-20 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
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7QLN
 | | rsKiiro pump probe structure by TR-SFX | | Descriptor: | rsKiiro | | Authors: | van Thor, J.J. | | Deposit date: | 2021-12-20 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
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8GSA
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8F4Y
 | | Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
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8F4S
 | | Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
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5XFC
 | | Serial femtosecond X-ray structure of a stem domain of human O-mannose beta-1,2-N-acetylglucosaminyltransferase solved by Se-SAD using XFEL (refined against 13,000 patterns) | | Descriptor: | 4-nitrophenyl beta-D-mannopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1 | | Authors: | Kuwabara, N, Fumiaki, Y, Kato, R, Manya, H. | | Deposit date: | 2017-04-10 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
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5XFD
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5XFE
 | | Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | Deposit date: | 2017-04-10 | | Release date: | 2017-08-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
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4RX8
 | | SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2 | | Descriptor: | 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | | Authors: | Lee, C.C. | | Deposit date: | 2014-12-09 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
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5Y5F
 | | Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray | | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | Authors: | Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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8WDT
 | | Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue) | | Descriptor: | (2S,3S,4R,5R)-5-(6-amino-2-((E)-phenyldiazenyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide, Adenosine receptor A2a, Antibody Fab fragment heavy chain, ... | | Authors: | Araya, T, Asada, H, Iwata, S, Im, D.H. | | Deposit date: | 2023-09-16 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Crystal structure reveals the binding mode and selectivity of a photoswitchable ligand for the adenosine A 2A receptor.
Biochem.Biophys.Res.Commun., 695, 2023
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8A6R
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8A6O
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8A6N
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8A6S
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8A6G
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8A6P
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8A6Q
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8A7V
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4RX7
 | | SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor | | Descriptor: | 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide, FORMIC ACID, GLYCEROL, ... | | Authors: | Lee, C.C. | | Deposit date: | 2014-12-09 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
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4RX9
 | | SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor | | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | | Authors: | Lee, C.C. | | Deposit date: | 2014-12-09 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
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5Y5H
 | | SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA | | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | Authors: | Tosha, T, Nomura, T, Nishida, T, Yamagiwa, R, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Yamashita, A, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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7C12
 | | beta1 domain-swapped structure of monothiol cGrx1(C16S) | | Descriptor: | Glutaredoxin | | Authors: | Lee, K, Hwang, K.Y. | | Deposit date: | 2020-05-02 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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7C10
 | | Dithiol cGrx1 | | Descriptor: | Glutaredoxin | | Authors: | Lee, K, Hwang, K.Y. | | Deposit date: | 2020-05-02 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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5Y6D
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