7C86
 
 | | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: Dark state structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RETINAL, ... | | Authors: | Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O. | | Deposit date: | 2020-05-28 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
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4Y6O
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8CU2
 | | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 100ns, with eightfold extrapolation of structure factor differences | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | Deposit date: | 2022-05-16 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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5MRS
 | | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | | Deposit date: | 2016-12-26 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
To Be Published
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6EX3
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5J7M
 | | Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836 | | Descriptor: | ACETATE ION, Cupin 2 conserved barrel domain protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chang, C, Cuff, M, Chhor, G, Endres, M, Joachimiak, A. | | Deposit date: | 2016-04-06 | | Release date: | 2016-04-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836
To Be Published
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8TQO
 | | Eukaryotic translation initiation factor 2B tetramer | | Descriptor: | Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, Translation initiation factor eIF-2B subunit epsilon, ... | | Authors: | Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P. | | Deposit date: | 2023-08-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling.
Nat.Chem.Biol., 20, 2024
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6OLP
 | | Full length HIV-1 Env AMC011 in complex with PGT151 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rantalainen, K, Cottrell, C.A. | | Deposit date: | 2019-04-16 | | Release date: | 2019-07-31 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics.
Plos Pathog., 15, 2019
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6UKS
 | | ATPgammaS bound mBcs1 | | Descriptor: | MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Tang, W.K, Borgnia, M.J, Hsu, A.L, Xia, D. | | Deposit date: | 2019-10-05 | | Release date: | 2020-02-05 | | Last modified: | 2020-02-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
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2WC7
 | | Crystal structure of Nostoc Punctiforme Debranching Enzyme(NPDE)(Acarbose soaked) | | Descriptor: | ALPHA AMYLASE, CATALYTIC REGION | | Authors: | Dumbrepatil, A.-B, Song, H.-N, Choi, J.-H, Park, K.-H, Woo, E.-J. | | Deposit date: | 2009-03-10 | | Release date: | 2009-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural Features of the Nostoc Punctiforme Debranching Enzyme Reveal the Basis of its Mechanism and Substrate Specificity.
Proteins, 78, 2010
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6ZEX
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6U4V
 | | Non-crosslinked wild type cysteine dioxygenase | | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | | Deposit date: | 2019-08-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
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6ZF1
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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8QLR
 | | Human MST3 (STK24) kinase in complex with inhibitor MR24 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
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5WN2
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3AFO
 | | Crystal Structure of Yeast NADH Kinase complexed with NADH | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NADH kinase POS5 | | Authors: | Ando, T, Ohashi, K, Ochiai, A, Miyagi, H, Kawai, S, Mikami, B, Murata, K. | | Deposit date: | 2010-03-10 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural factor conferring NADH kinase activity on yeast mitochondrial Pos5
To be Published
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6ZF6
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6B7H
 | | Structure of mGluR3 with an agonist | | Descriptor: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Monn, J.A, Clawson, D.K. | | Deposit date: | 2017-10-04 | | Release date: | 2018-04-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist.
J. Med. Chem., 61, 2018
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8QPH
 | | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-02 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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4Y96
 | | Crystal structure of Triosephosphate Isomerase from Gemmata obscuriglobus | | Descriptor: | CALCIUM ION, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A. | | Deposit date: | 2015-02-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
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6ZF3
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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8B1P
 | | Crystal structure of SUDV VP40 CCS mutant | | Descriptor: | Matrix protein VP40 | | Authors: | Werner, A.-D, Becker, S. | | Deposit date: | 2022-09-11 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
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6ZF0
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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5U6A
 | | CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-PEG3-MEDITOPE | | Descriptor: | Heavy Chain, Immunoglobulin G binding protein A, Light Chain, ... | | Authors: | Williams, J.C, Bzymek, K.P, Pucket, J, Avery, K.A, Ma, Y, Xie, J, Zer, C, Horne, D. | | Deposit date: | 2016-12-07 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.736 Å) | | Cite: | Crystal Structure Of I83E Meditope-Enabled Trastuzumab With Azido-PEG3-Meditope
To Be Published
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6ZF5
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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