3DA6
 
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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1GG6
 | | CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-PHENYLALANINE TRIFLUOROMETHYL KETONE BOUND AT THE ACTIVE SITE | | Descriptor: | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), 1,2-ETHANEDIOL, GAMMA CHYMOTRYPSIN, ... | | Authors: | Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A. | | Deposit date: | 2000-07-31 | | Release date: | 2000-09-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2001
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1GGD
 | | CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-LEUCIL-PHENYLALANINE ALDEHYDE BOUND AT THE ACTIVE SITE | | Descriptor: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE, GAMMA CHYMOTRYPSIN, SULFATE ION | | Authors: | Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A. | | Deposit date: | 2000-08-14 | | Release date: | 2000-09-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2000
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7SEV
 | | Crystal structure of E coli contaminant protein YadF co-purified with a plant protein | | Descriptor: | Carbonic anhydrase 2, POTASSIUM ION, ZINC ION | | Authors: | Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2021-10-01 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
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7SEU
 | | Crystal structure of E coli contaminant protein YncE co-purified with a plant protein | | Descriptor: | PQQ-dependent catabolism-associated beta-propeller protein | | Authors: | Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2021-10-01 | | Release date: | 2022-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
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4LWW
 | | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | | Deposit date: | 2013-07-28 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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7XK1
 | | Cryo-EM structure of Oryza sativa plastid glycyl-tRNA synthetase in complex with two tRNAs (both in tRNA binding states) | | Descriptor: | Glycine--tRNA ligase, tRNA(gly) | | Authors: | Yu, Z, Wu, Z, Li, Y, Lu, G, Lin, J. | | Deposit date: | 2022-04-19 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis of a two-step tRNA recognition mechanism for plastid glycyl-tRNA synthetase.
Nucleic Acids Res., 51, 2023
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7XK0
 | | Cryo-EM strucrture of Oryza sativa plastid glycyl-tRNA synthetase in complex with tRNA (tRNA locked state) | | Descriptor: | Glycine--tRNA ligase, tRNA(gly) | | Authors: | Yu, Z, Wu, Z, Li, Y, Lu, G, Lin, J. | | Deposit date: | 2022-04-19 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Structural basis of a two-step tRNA recognition mechanism for plastid glycyl-tRNA synthetase.
Nucleic Acids Res., 51, 2023
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1Q12
 | | Crystal Structure of the ATP-bound E. coli MalK | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Maltose/maltodextrin transport ATP-binding protein malK | | Authors: | Chen, J, Lu, G, Lin, J, Davidson, A.L, Quiocho, F.A. | | Deposit date: | 2003-07-18 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A tweezers-like motion of the ATP-binding cassette dimer in an ABC transport cycle
Mol.Cell, 12, 2003
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7XJZ
 | | Cryo-EM strucrture of Oryza sativa plastid glycyl-tRNA synthetase in complex with tRNA (tRNA binding state) | | Descriptor: | Glycine--tRNA ligase, tRNA(gly) | | Authors: | Yu, Z, Wu, Z, Li, Y, Lu, G, Lin, J. | | Deposit date: | 2022-04-19 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of a two-step tRNA recognition mechanism for plastid glycyl-tRNA synthetase.
Nucleic Acids Res., 51, 2023
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7XJY
 | | Cryo-EM structure of Oryza sativa plastid glycyl-tRNA synthetase (apo form) | | Descriptor: | Glycine--tRNA ligase | | Authors: | Yu, Z, Wu, Z, Li, Y, Lu, G, Lin, J. | | Deposit date: | 2022-04-19 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of a two-step tRNA recognition mechanism for plastid glycyl-tRNA synthetase.
Nucleic Acids Res., 51, 2023
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1Q1B
 | | Crystal structure of E. coli MalK in the nucleotide-free form | | Descriptor: | Maltose/maltodextrin transport ATP-binding protein malK | | Authors: | Chen, J, Lu, G, Lin, J, Davidson, A.L, Quiocho, F.A. | | Deposit date: | 2003-07-18 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A tweezer-like motion of the ATP-binding cassette dimer in an ABC transport cycle
Mol.Cell, 12, 2003
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1Q1E
 | | The ATPase component of E. coli maltose transporter (MalK) in the nucleotide-free form | | Descriptor: | Maltose/maltodextrin transport ATP-binding protein malK | | Authors: | Chen, J, Lu, G, Lin, J, Davidson, A.L, Quiocho, F.A. | | Deposit date: | 2003-07-19 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A tweezers-like motion of the ATP-binding cassette dimer in an ABC transport cycle
Mol.Cell, 12, 2003
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4LTS
 | | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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7A4M
 | | Cryo-EM structure of mouse heavy-chain apoferritin at 1.22 A | | Descriptor: | FE (III) ION, Ferritin heavy chain, ZINC ION | | Authors: | Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W. | | Deposit date: | 2020-08-20 | | Release date: | 2020-10-28 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (1.22 Å) | | Cite: | Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
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7A5V
 | | CryoEM structure of a human gamma-aminobutyric acid receptor, the GABA(A)R-beta3 homopentamer, in complex with histamine and megabody Mb25 in lipid nanodisc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W. | | Deposit date: | 2020-08-22 | | Release date: | 2020-11-18 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (1.7 Å) | | Cite: | Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
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7XBK
 | | Structure and mechanism of a mitochondrial AAA+ disaggregase CLPB | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of Caseinolytic peptidase B protein homolog, MAGNESIUM ION, ... | | Authors: | Wu, D, Liu, Y, Dai, Y, Wang, G, Lu, G, Chen, Y, Li, N, Lin, J, Gao, N. | | Deposit date: | 2022-03-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
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7XC5
 | | Crystal structure of the ANK domain of CLPB | | Descriptor: | Isoform 2 of Caseinolytic peptidase B protein homolog | | Authors: | Liu, Y, Wu, D, Lu, G, Gao, N, Lin, J. | | Deposit date: | 2022-03-23 | | Release date: | 2023-01-18 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
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1MUT
 | | NMR STUDY OF MUTT ENZYME, A NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE | | Descriptor: | NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE | | Authors: | Abeygunawardana, C, Weber, D.J, Gittis, A.G, Frick, D.N, Lin, J, Miller, A.-F, Bessman, M.J, Mildvan, A.S. | | Deposit date: | 1995-09-14 | | Release date: | 1996-04-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the MutT enzyme, a nucleoside triphosphate pyrophosphohydrolase.
Biochemistry, 34, 1995
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6ZAK
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | | Descriptor: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
To Be Published
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6Y8K
 | | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | | Deposit date: | 2020-03-05 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist.
J Immunother Cancer, 9, 2021
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7OSQ
 | | Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18) | | Descriptor: | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase | | Authors: | Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
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8FZD
 | | Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with apoRF3, RF1, P- and E-site tRNAPhe (Composite state I-B) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP
Nat.Struct.Mol.Biol., 2024
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8FZJ
 | | Cryo-EM structure of an E. coli rotated ribosome bound with RF3-GDPCP and p/E-tRNAPhe (Composite state II-C) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP
Nat.Struct.Mol.Biol., 2024
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8FZH
 | | Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF1, P- and E-site tRNAPhe (State II-D) | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G. | | Deposit date: | 2023-01-28 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The ribosome termination complex remodels release factor RF3 and ejects GDP
Nat.Struct.Mol.Biol., 2024
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