5CNB
 
 | | Ultrafast dynamics in myoglobin: 0.5 ps time delay | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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1IV6
 | | Solution Structure of the DNA Complex of Human TRF1 | | 分子名称: | 5'-D(*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3', TELOMERIC REPEAT BINDING FACTOR 1 | | 著者 | Nishikawa, T, Okamura, H, Nagadoi, A, Konig, P, Rhodes, D, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2002-03-14 | | 公開日 | 2002-04-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a telomeric DNA complex of human TRF1.
Structure, 9, 2001
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7T4L
 | | Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with extended alpha-C helix in chain B | | 分子名称: | Serine/threonine-protein kinase PINK1, putative | | 著者 | Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D. | | 登録日 | 2021-12-10 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Activation mechanism of PINK1.
Nature, 602, 2022
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1IU4
 | | Crystal Structure Analysis of the Microbial Transglutaminase | | 分子名称: | microbial transglutaminase | | 著者 | Kashiwagi, T, Yokoyama, K, Ishikawa, K, Ono, K, Ejima, D, Matsui, H, Suzuki, E. | | 登録日 | 2002-02-27 | | 公開日 | 2002-08-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of microbial transglutaminase from Streptoverticillium mobaraense
J.Biol.Chem., 277, 2002
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7SLZ
 | | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596 | | 分子名称: | Glucose-induced degradation protein 4 homolog, N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide | | 著者 | Song, X, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2021-10-25 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
To Be Published
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7T4M
 | | Structure of dodecameric unphosphorylated Pediculus humanus (Ph) PINK1 D357A mutant | | 分子名称: | Serine/threonine-protein kinase PINK1, putative | | 著者 | Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D. | | 登録日 | 2021-12-10 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.48 Å) | | 主引用文献 | Activation mechanism of PINK1.
Nature, 602, 2022
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5C3K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | | 分子名称: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6SUE
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5CBV
 | | Human Cyclophilin D Complexed with Inhibitor | | 分子名称: | FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ... | | 著者 | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | 登録日 | 2015-07-01 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Human Cyclophilin D Complexed with Inhibitor
To Be Published
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5C7B
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | | 分子名称: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-09-09 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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7STB
 | | Closed state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DNA (5'-D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3'), ... | | 著者 | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | | 登録日 | 2021-11-12 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | | 主引用文献 | Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Nat.Struct.Mol.Biol., 29, 2022
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5C7X
 | | Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, ... | | 著者 | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | 登録日 | 2015-06-25 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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7ST9
 | | Open state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DNA (5'-D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3'), ... | | 著者 | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | | 登録日 | 2021-11-12 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Nat.Struct.Mol.Biol., 29, 2022
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1OEM
 | | PTP1B with the catalytic cysteine oxidized to a sulfenyl-amide bond | | 分子名称: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | | 著者 | Salmeen, A, Andersen, J.N, Myers, M.P, Meng, T.C, Hinks, J.A, Tonks, N.K, Barford, D. | | 登録日 | 2003-03-28 | | 公開日 | 2003-06-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Redox Regulation of Protein Tyrosine Phosphatase Involves a Sulfenyl-Amide Intermediate
Nature, 423, 2003
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7TF0
 | | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-01-06 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
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3OZS
 | | Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form | | 分子名称: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | 著者 | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | 登録日 | 2010-09-27 | | 公開日 | 2011-03-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
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7TF3
 | | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484A spike protein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-01-06 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (2.25 Å) | | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
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5CET
 | | Crystal structure of Rv2837c | | 分子名称: | Bifunctional oligoribonuclease and PAP phosphatase NrnA, MANGANESE (II) ION | | 著者 | Wang, F, He, Q, Zhu, D, Liu, S, Gu, L. | | 登録日 | 2015-07-07 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Biochemical Insight into the Mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP Phosphodiesterase
J.Biol.Chem., 291, 2016
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5CI6
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1J8Z
 | | Solution structure of beta3 analogue peptide (HCYS) of HIV gp41 600-612 loop. | | 分子名称: | HCYS BETA3-CYS ANALOGUE OF HIV GP41 | | 著者 | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | | 登録日 | 2001-05-23 | | 公開日 | 2003-07-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
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7TF5
 | | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | | 登録日 | 2022-01-06 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
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5CN4
 | | Ultrafast dynamics in myoglobin: -0.1 ps time delay | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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7STE
 | | Rad24-RFC ADP state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Checkpoint protein RAD24, ... | | 著者 | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | | 登録日 | 2021-11-12 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | | 主引用文献 | Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Nat.Struct.Mol.Biol., 29, 2022
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1IK6
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7TEV
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate | | 分子名称: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | 著者 | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | 登録日 | 2022-01-05 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
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