7BCQ
 
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | | 分子名称: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | 著者 | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | 登録日 | 2020-12-21 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BCT
 | | ASCT2 in the presence of the inhibitor ERA-21 in the outward-open conformation. | | 分子名称: | Neutral amino acid transporter B(0) | | 著者 | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | 登録日 | 2020-12-21 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5JCZ
 | | Rab11 bound to MyoVa-GTD | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ... | | 著者 | Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A. | | 登録日 | 2016-04-15 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.056 Å) | | 主引用文献 | Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
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6YHG
 | | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) | | 分子名称: | 1-(3-methoxyphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANINE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | | 登録日 | 2020-03-29 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a)
To be published
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6YHJ
 | | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | | 登録日 | 2020-03-30 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e)
To be published
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8PDE
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif | | 分子名称: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ... | | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | 登録日 | 2023-06-12 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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6T4A
 | | Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Ngo, K, Collins, C, Heine, A, Klebe, G. | | 登録日 | 2019-10-13 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6TME
 | | Monomeric LRX8 in complex with RALF4. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(3-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J. | | 登録日 | 2019-12-04 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6T3Q
 | | Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Ngo, K, Collins, C, Heine, A, Klebe, G. | | 登録日 | 2019-10-11 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6RVY
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1DSL
 | | GAMMA B CRYSTALLIN C-TERMINAL DOMAIN | | 分子名称: | GAMMA B CRYSTALLIN | | 著者 | Norledge, B.V, Mayr, E.-M, Glockshuber, R, Bateman, O.A, Slingsby, C, Jaenicke, R, Driessen, H.P.C. | | 登録日 | 1996-02-01 | | 公開日 | 1996-07-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The X-ray structures of two mutant crystallin domains shed light on the evolution of multi-domain proteins.
Nat.Struct.Biol., 3, 1996
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1E7N
 | | The N-terminal domain of beta-B2-crystallin resembles the putative ancestral homodimer | | 分子名称: | BETA-CRYSTALLIN B2 | | 著者 | Clout, N.J, Basak, A, Wieligmann, K, Bateman, O.A, Jaenicke, R, Slingsby, C. | | 登録日 | 2000-08-31 | | 公開日 | 2000-10-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The N-Terminal Domain of Betab2-Crystallin Resembles the Putative Ancestral Homodimer.
J.Mol.Biol., 304, 2000
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6RVX
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6T3M
 | | Thrombin in Complex with a D-Phe-Pro-p-phenol derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | | 著者 | Ngo, K, Collins, C, Heine, A, Klebe, G. | | 登録日 | 2019-10-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-p-phenol derivative
To Be Published
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5CPF
 | | Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme | | 分子名称: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Li, H.-J, Lai, C.-T, Pan, P, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.409 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5CKY
 | | Crystal Structure of the MTERF1 R162A substitution bound to the termination sequence. | | 分子名称: | 5' -D (*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3', 5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3', Transcription termination factor 1, ... | | 著者 | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | 登録日 | 2015-07-15 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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5CO0
 | | Crystal Structure of the MTERF1 Y288A substitution bound to the termination sequence. | | 分子名称: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), POTASSIUM ION, ... | | 著者 | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | 登録日 | 2015-07-18 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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5COQ
 | | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | 分子名称: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-20 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5CP8
 | | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5CPB
 | | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5CRK
 | | Crystal Structure of the MTERF1 F243A substitution bound to the termination sequence. | | 分子名称: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ... | | 著者 | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | 登録日 | 2015-07-23 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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5CRJ
 | | Crystal Structure of the MTERF1 F322A substitution bound to the termination sequence. | | 分子名称: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ... | | 著者 | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | 登録日 | 2015-07-23 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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8OOM
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACETATE ION, GdmF | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2023-04-05 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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7RUM
 | | Endolysin from Escherichia coli O157:H7 phage FTEbC1, LysT84 | | 分子名称: | Endolysin, GLYCEROL | | 著者 | Love, M.J, Billington, C, Dobson, R.C.J. | | 登録日 | 2021-08-17 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | The structure and function of modular Escherichia coli O157:H7 bacteriophage FTBEc1 endolysin, LysT84: defining a new endolysin catalytic subfamily.
Biochem.J., 479, 2022
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8OSV
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2023-04-20 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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