7WB9
 
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature | | 分子名称: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | 登録日 | 2021-12-15 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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5PAN
 | | Crystal Structure of Factor VIIa in complex with 5-hydroxy-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide | | 分子名称: | 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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7WA0
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | 登録日 | 2021-12-11 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WA2
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | | 分子名称: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | 登録日 | 2021-12-11 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7WBA
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature | | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | 登録日 | 2021-12-15 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7W79
 | | Heme exporter HrtBA in complex with Mn-AMPPNP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative ABC transport system integral membrane protein, ... | | 著者 | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | | 登録日 | 2021-12-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WB7
 | | Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature | | 分子名称: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | | 登録日 | 2021-12-15 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
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7W7A
 | | Heme exporter in complex with Mn-containing protoporphyrin IX, Mn-anomalous data | | 分子名称: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | | 登録日 | 2021-12-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.204 Å) | | 主引用文献 | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3D2M
 | | Crystal structure of N-acetylglutamate synthase from Neisseria gonorrhoeae complexed with coenzyme A and L-glutamate | | 分子名称: | COENZYME A, GLUTAMIC ACID, Putative acetylglutamate synthase | | 著者 | Shi, D, Min, L, Jin, Z, Allewell, N.M, Tuchman, M. | | 登録日 | 2008-05-08 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Mechanism of Allosteric Inhibition of N-Acetyl-L-glutamate Synthase by L-Arginine.
J.Biol.Chem., 284, 2009
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3D31
 | | ModBC from Methanosarcina acetivorans | | 分子名称: | Sulfate/molybdate ABC transporter, ATP-binding protein, permease protein, ... | | 著者 | Gerber, S, Comellas-Bigler, M, Locher, K.P. | | 登録日 | 2008-05-09 | | 公開日 | 2008-06-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis of trans-inhibition in a molybdate/tungstate ABC transporter.
Science, 321, 2008
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7W7D
 | | Heme exporter HrtBA in complex with heme | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative ABC transport system integral membrane protein, Putative ABC transport system, ... | | 著者 | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shiro, Y, Shirouzu, M. | | 登録日 | 2021-12-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7W78
 | | Heme exporter HrtBA in complex with Mg-AMPPNP | | 分子名称: | ACETATE ION, DODECANE, GLYCEROL, ... | | 著者 | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | | 登録日 | 2021-12-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.884 Å) | | 主引用文献 | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7W7B
 | | Heme exporter HrtBA in complex with protoporphyrin IX containing manganese(III), high resolution data | | 分子名称: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING MN, ... | | 著者 | Hisano, T, Nakamura, H, Rahman, M.M, Tosha, T, Shirouzu, M, Shiro, Y. | | 登録日 | 2021-12-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3CUF
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7W7C
 | | Heme exporter in the unliganded form | | 分子名称: | Putative ABC transport system integral membrane protein, Putative ABC transport system, ATP-binding protein, ... | | 著者 | Rahman, M.M, Hisano, T, Nakamura, H, Tosha, T, Shirouzu, M, Shiro, Y. | | 登録日 | 2021-12-04 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3CKI
 | | Crystal structure of the TACE-N-TIMP-3 complex | | 分子名称: | ADAM 17, Metalloproteinase inhibitor 3, SODIUM ION, ... | | 著者 | Wisniewska, M, Goettig, P, Maskos, K, Belouski, E, Winters, D, Hecht, R, Black, R, Bode, W. | | 登録日 | 2008-03-15 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural determinants of the ADAM inhibition by TIMP-3: crystal structure of the TACE-N-TIMP-3 complex.
J.Mol.Biol., 381, 2008
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3CNU
 | | Crystal structure of the predicted coding region AF_1534 from Archaeoglobus fulgidus | | 分子名称: | Predicted coding region AF_1534 | | 著者 | Zhang, R, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2008-03-26 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The crystal structure of the predicted coding region AF_1534 from Archaeoglobus fulgidus.
To be Published
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3CY6
 | | Crystal Structure of E18Q DJ-1 | | 分子名称: | Protein DJ-1 | | 著者 | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A. | | 登録日 | 2008-04-25 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
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3CPS
 | | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase | | 分子名称: | Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC) | | 登録日 | 2008-04-01 | | 公開日 | 2008-04-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase.
To be Published
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3CJ1
 | | Structure of Rattus norvegicus NTPDase2 | | 分子名称: | Ectonucleoside triphosphate diphosphohydrolase 2 | | 著者 | Zebisch, M, Strater, N. | | 登録日 | 2008-03-12 | | 公開日 | 2008-04-29 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
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7WMC
 | | Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase | | 分子名称: | Nicotinamide N-methyltransferase, Peptide1 | | 著者 | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
J.Med.Chem., 65, 2022
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3CRK
 | | Crystal structure of the PDHK2-L2 complex. | | 分子名称: | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, POTASSIUM ION, ... | | 著者 | Green, T.J, Popov, K.M, Luo, M, Grigorian, A, Klyuyeva, A, Tuganova, A. | | 登録日 | 2008-04-07 | | 公開日 | 2008-04-29 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and functional insights into the molecular mechanisms responsible for the regulation of pyruvate dehydrogenase kinase 2.
J.Biol.Chem., 283, 2008
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3CJA
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7WMT
 | | Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase | | 分子名称: | Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | | 著者 | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | | 登録日 | 2022-01-17 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
J.Med.Chem., 65, 2022
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7W7H
 | | S Suis FakA-FakB2 complex structure | | 分子名称: | OLEIC ACID, Predicted kinase related to dihydroxyacetone kinase, SULFATE ION, ... | | 著者 | Shi, Y, Zang, N, Lou, N, Xu, Y, Sun, J, Huang, M, Zhang, H, Lu, H, Zhou, C, Feng, Y. | | 登録日 | 2021-12-04 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and mechanism for streptococcal fatty acid kinase (Fak) system dedicated to host fatty acid scavenging.
Sci Adv, 8, 2022
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