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4W4Q
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Glucose isomerase structure determined by serial femtosecond crystallography at SACLA
分子名称: CALCIUM ION, Xylose isomerase
著者Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S.
登録日2014-08-15
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
3FX5
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BU of 3fx5 by Molmil
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography
分子名称: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease
著者Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R.
登録日2009-01-20
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
6TJ5
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BU of 6tj5 by Molmil
T. gondii myosin A trimeric complex with ELC1
分子名称: CALCIUM ION, CHLORIDE ION, Calmodulin, ...
著者Pazicky, S, Loew, C.
登録日2019-11-25
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020
6TJ4
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BU of 6tj4 by Molmil
P. falciparum essential light chain, N-terminal domain
分子名称: PfELC
著者Pazicky, S, Loew, C.
登録日2019-11-25
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020
1UJP
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BU of 1ujp by Molmil
Crystal Structure of Tryptophan Synthase A-Subunit From Thermus thermophilus HB8
分子名称: CITRIC ACID, Tryptophan synthase alpha chain
著者Asada, Y, Yokoyama, S, Kuramitsu, S, Miyano, M, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-08-08
公開日2003-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Stabilization mechanism of the tryptophan synthase alpha-subunit from Thermus thermophilus HB8: X-ray crystallographic analysis and calorimetry.
J.Biochem.(Tokyo), 138, 2005
1B5X
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BU of 1b5x by Molmil
Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and x-ray analysis of six ser->ala mutants
分子名称: PROTEIN (LYSOZYME), SODIUM ION
著者Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K.
登録日1999-01-11
公開日1999-01-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants.
Biochemistry, 38, 1999
1B5W
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BU of 1b5w by Molmil
CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS
分子名称: CHLORIDE ION, PROTEIN (LYSOZYME), SODIUM ION
著者Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K.
登録日1999-01-11
公開日1999-01-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants.
Biochemistry, 38, 1999
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2O
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Crystal structure of Mycobacterium tuberculosis KasA
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
1GEQ
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BU of 1geq by Molmil
Entropic stabilization of the tryptophan synthase A-subunit from a hyperthermophile, pyrococcus furiosus: X-ray analysis and calorimetry
分子名称: TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT
著者Yutani, K, Yamagata, Y.
登録日2000-11-21
公開日2000-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Entropic stabilization of the tryptophan synthase alpha-subunit from a hyperthermophile, Pyrococcus furiosus. X-ray analysis and calorimetry.
J.Biol.Chem., 276, 2001
1UK1
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BU of 1uk1 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor
分子名称: 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE, Poly [ADP-ribose] polymerase-1
著者Kinoshita, T.
登録日2003-08-14
公開日2004-09-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase
J.Med.Chem., 47, 2004
5W2S
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BU of 5w2s by Molmil
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
1GEJ
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BU of 1gej by Molmil
STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM
分子名称: CYTOCHROME P450 55A1, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE
著者lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y.
登録日2000-11-13
公開日2000-12-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam.
Biochemistry, 40, 2001
1GEI
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BU of 1gei by Molmil
STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM
分子名称: CYTOCHROME P450 55A1, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y.
登録日2000-11-13
公開日2000-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam.
Biochemistry, 40, 2001
6DWA
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BU of 6dwa by Molmil
Structure of the 4497 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
分子名称: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 4497 Fab Heavy Chain, 4497 Fab Light Chain
著者Fong, R, Lupardus, P.J.
登録日2018-06-26
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DWC
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BU of 6dwc by Molmil
Structure of the apo 4497 antibody Fab fragment
分子名称: 4497 Fab Heavy Chain, 4497 Fab Light Chain, ACETATE ION, ...
著者Fong, R, Lupardus, P.J.
登録日2018-06-26
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DW2
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BU of 6dw2 by Molmil
Structure of the 6078 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
分子名称: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 6078 Fab heavy chain, 6078 Fab light chain, ...
著者Fong, R, Lupardus, P.J.
登録日2018-06-26
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DWI
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BU of 6dwi by Molmil
Structure of the 4462 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
分子名称: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 4462 Fab Heavy chain, 4462 Fab Light Chain, ...
著者Fong, R, Lupardus, P.J.
登録日2018-06-26
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
3W08
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BU of 3w08 by Molmil
Crystal structure of aldoxime dehydratase
分子名称: Aldoxime dehydratase, PROTOPORPHYRIN IX CONTAINING FE
著者Hashimoto, H, Nomura, J, Hashimoto, Y, Oinuma, K.I, Wada, K, Hishiki, A, Hara, K, Kobayashi, M.
登録日2012-10-24
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of aldoxime dehydratase and its catalytic mechanism involved in carbon-nitrogen triple-bond synthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
8W6X
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BU of 8w6x by Molmil
Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Hiromoto, T, Tamada, T.
登録日2023-08-30
公開日2023-09-13
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION
主引用文献New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
著者Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
分子名称: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
著者Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
8WD4
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EGFR(L858R/T790/C797S) in complex with compound 5j
分子名称: CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide
著者Nishikawa, Y.
登録日2023-09-14
公開日2023-12-20
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
8HEW
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BU of 8hew by Molmil
Potato 14-3-3 St14f
分子名称: 14-3-3 protein, StFDL1 peptide
著者Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C.
登録日2022-11-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening.
Plant J., 112, 2022
7VGU
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Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3 : structure obtained 1 msec after photoexcitation with bromide ion
分子名称: BROMIDE ION, Chloride pumping rhodopsin, DECANE, ...
著者Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M.
登録日2021-09-18
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022

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