6VV0
 
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1354 | | Descriptor: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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7BRW
 | | Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature) | | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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6Y9C
 | | The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer | | Descriptor: | CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | | Deposit date: | 2020-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site.
Febs J., 2023
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7BS0
 | | Bovine Pancreatic Trypsin with aniline (Room Temperature) | | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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6FX3
 | | crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin | | Authors: | Cabanettes, A, Varrot, A. | | Deposit date: | 2018-03-08 | | Release date: | 2018-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018
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8FYO
 | | MicroED structure of Proteinase K from lamellae milled from multiple plasma sources | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | | Deposit date: | 2023-01-26 | | Release date: | 2023-05-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.39 Å) | | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
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5N1E
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-06 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
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4WRO
 | | Complex of 70S ribosome with tRNA-Phe and mRNA with C-A mismatch in the second position in the A-site | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | | Deposit date: | 2014-10-24 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
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5N27
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6YM2
 | | Crystal structure of YTHDC1 with compound ADO_AC_25 | | Descriptor: | SULFATE ION, YTHDC1, ~{N},9-dimethylpurin-6-amine | | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of YTHDC1 with compound ADO_AC_25
To Be Published
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8FUJ
 | | HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2023-01-17 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
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4WUY
 | | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
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7PCZ
 | | Functional and structural characterization of redox sensitive superfolder green fluorescent protein and variants | | Descriptor: | ETHANOL, GLYCEROL, Green fluorescent protein | | Authors: | Fritz-Wolf, K, Heimsch, K.C, Schuh, A.K, Becker, K. | | Deposit date: | 2021-08-04 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.
Antioxid.Redox Signal., 37, 2022
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5N33
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.434 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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5J4B
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with cisplatin (co-crystallized) and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Melnikov, S.V, Soll, D, Steitz, T.A, Polikanov, Y.S. | | Deposit date: | 2016-03-31 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights into RNA binding by the anticancer drug cisplatin from the crystal structure of cisplatin-modified ribosome.
Nucleic Acids Res., 44, 2016
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5N3H
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8CSX
 | | Local refinement of RhAG/CE trimer in class 2 of erythrocyte ankyrin-1 complex | | Descriptor: | Ammonium transporter Rh type A, Blood group Rh(CE) polypeptide, CHOLESTEROL, ... | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-13 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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5N9G
 | | TFIIIB -TBP/Brf2/DNA and SANT domain of Bdp1- | | Descriptor: | DNA/RNA (25-MER), DNA/RNA (27-MER), SODIUM ION, ... | | Authors: | Gouge, J, Vannini, A, Guthertz, N. | | Deposit date: | 2017-02-24 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanisms of Bdp1 in TFIIIB assembly and RNA polymerase III transcription initiation.
Nat Commun, 8, 2017
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7BML
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4WZV
 | | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | Deposit date: | 2014-11-20 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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7O1F
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4WXI
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7OPY
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6GE9
 | | Structure of Mycobacterium tuberculosis GlmU bound to Glc-1P and Ac-CoA | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Craggs, P.D, Mouilleron, S, Rejzek, M, de Chiara, C, Young, R.J, Field, R.A, Argyrou, A, de Carvalho, L.P.S. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The Mechanism of Acetyl Transfer Catalyzed by Mycobacterium tuberculosis GlmU.
Biochemistry, 57, 2018
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7PD0
 | | Functional and structural characterization of redox sensitive superfolder green fluorescent protein and variants | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Green fluorescent protein, ... | | Authors: | Fritz-Wolf, K, Heimsch, K.C, Schuh, A.K, Becker, K. | | Deposit date: | 2021-08-04 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.
Antioxid.Redox Signal., 37, 2022
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