6DAW
| X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate | Descriptor: | ACETATE ION, ARGININE, FE (II) ION, ... | Authors: | Mitchell, A.J, Dunham, N.P, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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6DB2
| X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate | Descriptor: | 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent L-arginine hydroxylase, L-HOMOARGININE, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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6DAZ
| X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate | Descriptor: | (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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6DAX
| X-ray crystal structure of VioC bound to Fe(II), L-homoarginine, and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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5CUJ
| Crystal structure of Human Defensin-5 Y27A mutant crystal form 2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tolbert, W.D, Gohain, N, Pazgier, M. | Deposit date: | 2015-07-24 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion. Immunity, 2018
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5CUI
| Crystal structure of Human Defensin-5 R28A mutant. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ... | Authors: | Tolbert, W.D, Gohain, N, Pazgier, M. | Deposit date: | 2015-07-24 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion. Immunity, 2018
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5CUM
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2P8S
| Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | Descriptor: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Biftu, T. | Deposit date: | 2007-03-23 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin Bioorg.Med.Chem.Lett., 17, 2007
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8ELI
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8EUW
| Cryo-EM structure of HIV-1 BG505 DS-SOSIP ENV trimer bound to VRC34.01-MM28 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, Envelope glycoprotein gp120, ... | Authors: | Pletnev, S, Kwong, P. | Deposit date: | 2022-10-19 | Release date: | 2023-09-27 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site. Nat Commun, 14, 2023
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8EUU
| Cryo-EM structure of HIV-1 BG505 DS-SOSIP ENV trimer bound to VRC34.01 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, Envelope glycoprotein gp120, ... | Authors: | Pletnev, S, Kwong, P. | Deposit date: | 2022-10-19 | Release date: | 2023-09-27 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site. Nat Commun, 14, 2023
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8EUV
| Cryo-EM structure of HIV-1 BG505 DS-SOSIP ENV trimer bound to VRC34.01-COMBO1 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, Envelope glycoprotein gp120, ... | Authors: | Pletnev, S, Kwong, P. | Deposit date: | 2022-10-19 | Release date: | 2023-09-27 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site. Nat Commun, 14, 2023
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8F7Z
| VRC34.01_mm28 bound to fusion peptide | Descriptor: | HIV-1 Env Fusion Peptide, VRC34_m228 Light Chain, VRC34_mm28 Heavy Chain | Authors: | Olia, A.S, Kwong, P.D. | Deposit date: | 2022-11-21 | Release date: | 2023-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site. Nat Commun, 14, 2023
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1F7C
| CRYSTAL STRUCTURE OF THE BH DOMAIN FROM GRAF, THE GTPASE REGULATOR ASSOCIATED WITH FOCAL ADHESION KINASE | Descriptor: | RHOGAP PROTEIN | Authors: | Longenecker, K.L, Derewenda, U, Sheffield, P.J, Zheng, Y, Derewenda, Z.S. | Deposit date: | 2000-06-26 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the BH domain from graf and its implications for Rho GTPase recognition. J.Biol.Chem., 275, 2000
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8T6U
| Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2023-06-18 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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8T6V
| Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2023-06-18 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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8T5C
| Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2023-06-13 | Release date: | 2024-01-03 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability. Nat Commun, 15, 2024
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5K6D
| Structure of FS50 an antagonist of NaV1.5 | Descriptor: | Putative secreted salivary protein | Authors: | Andersen, J.F, Xu, X. | Deposit date: | 2016-05-24 | Release date: | 2016-11-23 | Method: | X-RAY DIFFRACTION (1.139 Å) | Cite: | Structure and Function of FS50, a salivary protein from the flea Xenopsylla cheopis that blocks the sodium channel NaV1.5. Sci Rep, 6, 2016
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3H0Z
| Aurora A in complex with a bisanilinopyrimidine | Descriptor: | 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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3H10
| Aurora A inhibitor complex | Descriptor: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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3H0Y
| Aurora A in complex with a bisanilinopyrimidine | Descriptor: | 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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7Y04
| Hsp90-AhR-p23 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | Deposit date: | 2022-06-03 | Release date: | 2023-01-04 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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6MTQ
| Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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7LPN
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6NPA
| X-ray crystal structure of TmpB, (R)-1-hydroxy-2-trimethylaminoethylphosphonate oxygenase, with (R)-1-hydroxy-2-trimethylaminoethylphosphonate | Descriptor: | (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium, FE (II) ION, FE (III) ION, ... | Authors: | Rajakovich, L.J, Mitchell, A.J, Boal, A.K. | Deposit date: | 2019-01-17 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases. Biochemistry, 58, 2019
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