1FBZ
| Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | Authors: | Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T. | Deposit date: | 2000-07-17 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity. Proc.Natl.Acad.Sci.Usa, 97, 2000
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1EA5
| NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Harel, M, Weik, M, Silman, I, Sussman, J.L. | Deposit date: | 2000-11-06 | Release date: | 2000-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement Biochemistry, 41, 2002
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6PSA
| PIE12 D-PEPTIDE AGAINST HIV ENTRY (IN COMPLEX WITH IQN17 Q577R RESISTANCE MUTANT) | Descriptor: | CHLORIDE ION, IQN17, PIE12 D-peptide | Authors: | Hill, C.P, Whitby, F.G, Kay, M, Weinstock, M. | Deposit date: | 2019-07-12 | Release date: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of resistance to a potent D-peptide HIV entry inhibitor. Retrovirology, 16, 2019
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1GTV
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP) | Descriptor: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | Deposit date: | 2002-01-21 | Release date: | 2002-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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1GSI
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) | Descriptor: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | Deposit date: | 2002-01-03 | Release date: | 2002-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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7MHR
| KcsA E71V closed gate with K+ | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MHX
| KcsA E71V closed gate with Ba2+ | Descriptor: | BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MUB
| KcsA Open gate E71V mutant in Potassium | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-05-14 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MK6
| KcsA open gate E71V mutant with sodium | Descriptor: | Fab heavy chain, Fab light chain, pH-gated potassium channel KcsA | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-21 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MJT
| KcsA open gate E71V mutant with Barium | Descriptor: | BARIUM ION, Fab heavy chain, Fab light chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-20 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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4OO9
| Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ... | Authors: | Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H. | Deposit date: | 2014-01-31 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain. Nature, 511, 2014
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6FAI
| Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit | Descriptor: | 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Scaiola, A, Pena, C, Weisser, M, Boehringer, D, Leibundgut, M, Klingauf-Nerurkar, P, Gerhardy, S, Panse, V.G, Ban, N. | Deposit date: | 2017-12-15 | Release date: | 2018-02-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit. EMBO J., 37, 2018
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7R36
| Difference-refined structure of fatty acid photodecarboxylase 2 microsecond following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R33
| Difference-refined structure of fatty acid photodecarboxylase 20 ps following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R34
| Difference-refined structure of fatty acid photodecarboxylase 900 ps following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7S0N
| Structure of MS3494 from Mycobacterium Smegmatis determined by Solution NMR | Descriptor: | Secreted protein | Authors: | Kent, J.E, Tian, Y, Shin, K, Zhang, L, Niederweis, M, Marassi, F.M. | Deposit date: | 2021-08-30 | Release date: | 2021-10-06 | Method: | SOLUTION NMR | Cite: | Structure of MS3494 from Mycobacterium Smegmatis To Be Published
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1GZU
| Crystal Structure of Human Nicotinamide Mononucleotide Adenylyltransferase in Complex with NMN | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE | Authors: | Werner, E, Ziegler, M, Lerner, F, Schweiger, M, Heinemann, U. | Deposit date: | 2002-06-06 | Release date: | 2002-07-05 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human nicotinamide mononucleotide adenylyltransferase in complex with NMN. FEBS Lett., 516, 2002
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1QIF
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1QIG
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6EUC
| Reactivating oxime bound to Tc AChE's catalytic gorge. | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | Deposit date: | 2017-10-30 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.21998858 Å) | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration. Chemistry, 24, 2018
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1QIJ
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6EWK
| T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | Deposit date: | 2017-11-04 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration. Chemistry, 24, 2018
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1QIK
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1QIO
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1QID
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