6AFN
| Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid | Descriptor: | Beta-lactamase, GLYCEROL, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | Authors: | Cao, T.-P, Choi, J.M, Lee, S.H. | Deposit date: | 2018-08-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
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7Q7P
| LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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7Q7Q
| LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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1FAQ
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1FAR
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7QHF
| [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant G302S | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Brocks, C, Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2021-12-12 | Release date: | 2023-09-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem, 2023
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3ZNR
| HDAC7 bound with inhibitor TMP269 | Descriptor: | HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | Authors: | Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m. | Deposit date: | 2013-02-15 | Release date: | 2013-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group Nat.Chem.Biol., 9, 2013
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3ZNS
| HDAC7 bound with TFMO inhibitor tmp942 | Descriptor: | HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | Authors: | Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A. | Deposit date: | 2013-02-15 | Release date: | 2013-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group Nat.Chem.Biol., 9, 2013
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3NEC
| Crystal Structure of Toxoplasma gondii Profilin | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Inflammatory profilin, SULFATE ION | Authors: | Kucera, K, Modis, Y. | Deposit date: | 2010-06-08 | Release date: | 2010-09-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based analysis of Toxoplasma gondii profilin: a parasite-specific motif is required for recognition by Toll-like receptor 11. J.Mol.Biol., 403, 2010
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4MXK
| X-ray structure of Fe(II)-ZnPIXFeBMb1 | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Chakraborty, S, Lu, Y, Petrik, I. | Deposit date: | 2013-09-26 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angew.Chem.Int.Ed.Engl., 53, 2014
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4GDY
| Kynurenine Aminotransferase II inhibitors | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics MEDCHEMCOMM, 2012
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6AFP
| Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid | Descriptor: | ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | Authors: | Cao, T.-P, Choi, J.M, Lee, S.H. | Deposit date: | 2018-08-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
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6AFO
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2MI1
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7TLS
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-18 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (0.73 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TMJ
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7TMI
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TML
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TM2
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, helical peptide, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TMK
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TLU
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-18 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.79 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TMH
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TM1
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2022-04-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TME
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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7TMA
| Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | Authors: | Nguyen, A.I. | Deposit date: | 2022-01-19 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
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