2D2Q
 
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2E1F
 | | Crystal structure of the HRDC Domain of Human Werner Syndrome Protein, WRN | | Descriptor: | CHLORIDE ION, Werner syndrome ATP-dependent helicase | | Authors: | Kitano, K, Yoshihara, N, Hakoshima, T. | | Deposit date: | 2006-10-25 | | Release date: | 2006-12-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the HRDC domain of human Werner syndrome protein, WRN
J.Biol.Chem., 282, 2007
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2E5V
 | | Crystal structure of L-Aspartate Oxidase from hyperthermophilic archaeon Sulfolobus tokodaii | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase | | Authors: | Yoneda, K, Sakuraba, H, Asai, I, Tsuge, H, Katunuma, N, Ohshima, T. | | Deposit date: | 2006-12-25 | | Release date: | 2008-01-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure of l-aspartate oxidase from the hyperthermophilic archaeon Sulfolobus tokodaii
Biochim.Biophys.Acta, 1784, 2008
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2F2U
 | | crystal structure of the Rho-kinase kinase domain | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, Rho-associated protein kinase 2 | | Authors: | Yamaguchi, H, Hakoshima, T. | | Deposit date: | 2005-11-18 | | Release date: | 2006-04-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular mechanism for the regulation of rho-kinase by dimerization and its inhibition by fasudil
Structure, 14, 2006
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5XXX
 | | GMPCPP-microtubule complexed with nucleotide-free KIF5C | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | Deposit date: | 2017-07-05 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (6.43 Å) | | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
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5XXT
 | | GDP-microtubule complexed with nucleotide-free KIF5C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | Deposit date: | 2017-07-05 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (5.35 Å) | | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
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5XXW
 | | GDP-microtubule complexed with KIF5C in ATP state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | Deposit date: | 2017-07-05 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
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5XXV
 | | GDP-microtubule complexed with KIF5C in AMPPNP state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | Deposit date: | 2017-07-05 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (6.46 Å) | | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
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1MQA
 | | Crystal structure of high affinity alphaL I domain in the absence of ligand or metal | | Descriptor: | Integrin alpha-L | | Authors: | Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A. | | Deposit date: | 2002-09-15 | | Release date: | 2003-01-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
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6A1C
 | | Crystal structure of the CK2a1-go289 complex | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ... | | Authors: | Kinoshita, T, Tsuyuguchi, M. | | Deposit date: | 2018-06-07 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
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5XAO
 | | Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala in complexes with sodium and chloride ions | | Descriptor: | ACETIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Yoshida, H, Kamitori, S, Sode, K. | | Deposit date: | 2017-03-14 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structures of fructosyl peptide oxidases revealing residues responsible for gating oxygen access in the oxidative half reaction
Sci Rep, 7, 2017
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3I2W
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3VKG
 | | X-ray structure of an MTBD truncation mutant of dynein motor domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic, ... | | Authors: | Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G. | | Deposit date: | 2011-11-16 | | Release date: | 2012-03-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
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3VKH
 | | X-ray structure of a functional full-length dynein motor domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic | | Authors: | Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G. | | Deposit date: | 2011-11-16 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
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4W4Q
 | | Glucose isomerase structure determined by serial femtosecond crystallography at SACLA | | Descriptor: | CALCIUM ION, Xylose isomerase | | Authors: | Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S. | | Deposit date: | 2014-08-15 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
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5DCV
 | | Crystal structure of PhoRpp38-SL12M complex | | Descriptor: | 50S ribosomal protein L7Ae, RNA (47-MER) | | Authors: | Oshima, K, Tanaka, Y, Yao, M. | | Deposit date: | 2015-08-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Structural basis for recognition of a kink-turn motif by an archaeal homologue of human RNase P protein Rpp38
Biochem.Biophys.Res.Commun., 474, 2016
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5D9D
 | | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | | 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: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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5D9C
 | | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | | 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: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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7YCE
 | | KRas G12C in complex with Compound 7b | | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Amano, Y. | | Deposit date: | 2022-07-01 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
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7YCC
 | | KRas G12C in complex with Compound 5c | | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Amano, Y. | | Deposit date: | 2022-07-01 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
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8S0P
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0J
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S0O
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.834 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8RZW
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8S06
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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