PDB: 224004 resultsInfo pagesStatus searchChemie searchBIRD

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8P59	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333 Descriptor: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-23 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333 To Be Published
1B8D	CRYSTAL STRUCTURE OF A PHYCOUROBILIN-CONTAINING PHYCOERYTHRIN Descriptor: PHYCOERYTHROBILIN, PHYCOUROBILIN, PROTEIN (RHODOPHYTAN PHYCOERYTHRIN (ALPHA CHAIN)), ... Authors: Ritter, S, Hiller, R.G, Wrench, P.M, Welte, W, Diederichs, K. Deposit date: 1999-01-29 Release date: 1999-02-18 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of a phycourobilin-containing phycoerythrin at 1.90-A resolution. J.Struct.Biol., 126, 1999
1B9J	OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KLK Descriptor: PROTEIN (LYS-LEU-LYS), PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN), URANYL (VI) ION Authors: Tame, J.R.H, Wilkinson, A.J. Deposit date: 1999-02-11 Release date: 1999-02-22 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystallographic and calorimetric analysis of peptide binding to OppA protein. J.Mol.Biol., 291, 1999
8PA7	Crystal structure of the metallo-beta-lactamase VIM1 with 2546 Descriptor: 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-07 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2546 To Be Published
8PAL	Crystal structure of the metallo-beta-lactamase VIM1 with 2651 Descriptor: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-08 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2651 To Be Published
8PAV	Crystal structure of MST1 with a MAP4K1 SMOL inhibitor Descriptor: 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... Authors: Friberg, A. Deposit date: 2023-06-08 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
7N8P	CLC-ec1 at pH 4.5 100mM Cl Swap Descriptor: H(+)/Cl(-) exchange transporter ClcA Authors: Fortea, E, Boudker, O, Accardi, A. Deposit date: 2021-06-15 Release date: 2022-11-16 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY (3.42 Å) Cite: Structural basis of common gate activation in CLC transporters To Be Published
8PCN	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 100 ms Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ... Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCG	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 2000 ms Descriptor: BORATE ION, Beta-lactamase, SULFATE ION Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7N9W	CLC-ec1 pH 4.5 100mM Cl Twist1 Descriptor: H(+)/Cl(-) exchange transporter ClcA Authors: Fortea, E, Boudker, O, Accardi, A. Deposit date: 2021-06-18 Release date: 2022-11-16 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY (4.16 Å) Cite: Structural basis of common gate activation in CLC transporters To Be Published
7PJM	Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... Authors: Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. Deposit date: 2021-08-24 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
8OWU	The crystal structure of the polymorphic toxin PT7(Bc) D37A mutant and its cognate immunity PIM7(Bc) complex Descriptor: MAGNESIUM ION, PIM7, Transposase Authors: Tzarum, N, Fraenkel, R, Deouell, N, Cahana, I. Deposit date: 2023-04-28 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Systematic Discovery of Antibacterial and Antifungal Bacterial Toxins To Be Published
8P95	Crystal structure of the metallo-beta-lactamase VIM1 with 2407 Descriptor: 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-05 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2407 To Be Published
8P9W	vitamin D receptor complex with Xe4MeCF3 analog Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A Authors: Belorusova, A.Y, Rochel, N. Deposit date: 2023-06-06 Release date: 2024-06-26 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.9 Å) Cite: A vitamin D-based strategy overcomes chemoresistance in prostate cancer. Br.J.Pharmacol., 2024
8PA1	Crystal structure of alcohol dehydrogenase/ketoreductase variant from Thermus thermophilus apo form Descriptor: GLYCEROL, Oxidoreductase, short-chain dehydrogenase/reductase family, ... Authors: Rozeboom, H.J, Janssen, D.B. Deposit date: 2023-06-07 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of alcohol dehydrogenase/ketoreductase variant from Thermus thermophilus apo form To Be Published
8P9S	Crystal structure of the metallo-beta-lactamase VIM1 with 2482 Descriptor: 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-06 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2482 To Be Published
8PAD	Crystal structure of the metallo-beta-lactamase VIM1 with 2555 Descriptor: 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-07 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2555 To Be Published
8PCC	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 100 ms Descriptor: BORATE ION, Beta-lactamase, SULFATE ION Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PB2	Crystal structure of the metallo-beta-lactamase VIM1 with 2697 Descriptor: 7-[(1~{S})-1-[4-(carbamimidamidomethyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-08 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2697 To Be Published
8PAJ	Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... Authors: Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E. Deposit date: 2023-06-08 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra To Be Published
8PCV	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 10000 ms Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ... Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PC9	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native. Descriptor: Beta-lactamase, SULFATE ION Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCL	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 50 ms Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ... Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCQ	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 500 ms Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ... Authors: Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. Deposit date: 2023-06-11 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8P8H	Crystal structure of HHD2 domain of hRTEL1 Descriptor: Regulator of telomere elongation helicase 1 Authors: Hegde, R.P, Kanade, M, Cortone, G, Graewert, M, Longo, A, Gonzalez, A, Chaves-Arquero, B, Blanco, F.J, Napolitano, L.M.R, Onesti, S. Deposit date: 2023-06-01 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of HHD2 domain of hRTEL1 To Be Published

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