8A7C
 
 | | PcIDS1 in complex with Mg2+, IPP, and ZOL | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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7ZWB
 | | human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | | Descriptor: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
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8A7J
 | | PcIDS1 in complex with Mn2+, IPP, and ZOL | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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8A7R
 | | PcIDS1_I420A in complex with Mg2+ and GPP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GERANYL DIPHOSPHATE, GLYCEROL, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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8A7U
 | | PcIDS1_F315D in complex with Mg2+ and GPP | | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, F, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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7ZUC
 | | Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-LEU-LEU-GLY-ILE-GLY-ILE-LEU-VAL, ... | | Authors: | Rizkallah, P.J, Wall, A, Sewell, A.K, Fuller, A. | | Deposit date: | 2022-05-12 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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7ZVZ
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7ZMY
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 in the presence of sodium at 100K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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5ZR3
 | | Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide | | Descriptor: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha | | Authors: | Uno, T, Chong, K.T, Suzuki, T. | | Deposit date: | 2018-04-23 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
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7ZN0
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 8.2 in the presence of sodium at 100K | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7ZTI
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7ZN9
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.0 in the presence of sodium at 100K | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7BDN
 | | Structure of the Streptomyces coelicolor small laccase - cubic crystal form | | Descriptor: | COPPER (II) ION, Putative copper oxidase | | Authors: | Zovo, K, Majumdar, S, Lukk, T. | | Deposit date: | 2020-12-22 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
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7ZNB
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 5.2 in the presence of sodium at 100K | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7ZNA
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 5.2 in the presence of sodium at 100K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7ZND
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.6 in the absence of sodium at 100K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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8A6Z
 | | PcIDS1 in complex with Mn2+ and IPP | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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7ZN8
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 7.0 in the presence of sodium at 100K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7ZNC
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 7.6 in the absence of sodium at 100K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7ZNE
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 at room temperature, 7.5-ms-long snapshots | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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5ZYI
 | | Crystal structure of CERT START domain in complex with compound E16 | | Descriptor: | 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | Deposit date: | 2018-05-25 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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7ZNG
 | | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 at room temperature, 500-mks-long snapshots | | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-04-20 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
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7ZQI
 | | MHC class I from a wild bird in complex with a nonameric peptide P2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Eltschkner, S, Mellinger, S, Buus, S, Nielsen, M, Paulsson, K.M, Lindkvist-Petersson, K, Westerdahl, H. | | Deposit date: | 2022-04-29 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The structure of songbird MHC class I reveals antigen binding that is flexible at the N-terminus and static at the C-terminus.
Front Immunol, 14, 2023
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8A73
 | | PcIDS1 in complex with Mn2+ and GPP | | Descriptor: | GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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5F2F
 | | Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain | | Descriptor: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH | | Authors: | Kalas, V, Hultgren, S.J. | | Deposit date: | 2015-12-01 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI.
Chemmedchem, 11, 2016
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