9MNZ
 
 | Cryo-EM structure of human MPC in complex with UK5099 in nanodiscs | Descriptor: | (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid, Fab_8D3_2 heavy chain, Fab_8D3_2 light chain, ... | Authors: | Zhang, J, He, Z, Feng, L. | Deposit date: | 2024-12-24 | Release date: | 2025-03-05 | Last modified: | 2025-06-04 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structure of mitochondrial pyruvate carrier and its inhibition mechanism. Nature, 641, 2025
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8RPO
 
 | BFL1 in complex with a reversible covalent ligand | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | Authors: | Hargreaves, D. | Deposit date: | 2024-01-16 | Release date: | 2024-07-03 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen. Acs Med.Chem.Lett., 15, 2024
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4CM8
 
 | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CM6
 
 | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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6EYI
 
 | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | Descriptor: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | Deposit date: | 2017-11-13 | Release date: | 2018-11-21 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | E-selectin lectin with different glycomimetic ligands To Be Published
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6QEL
 
 | E. coli DnaBC apo complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ... | Authors: | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | Deposit date: | 2019-01-08 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA. Mol.Cell, 74, 2019
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6QEM
 
 | E. coli DnaBC complex bound to ssDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION, ... | Authors: | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | Deposit date: | 2019-01-08 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA. Mol.Cell, 74, 2019
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8GJ3
 
 | E. coli clamp loader on primed template DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli. Nat Commun, 15, 2024
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8GJ1
 
 | E. coli clamp loader with open clamp on primed template DNA (form 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta sliding clamp, DNA polymerase III subunit delta, ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli. Nat Commun, 15, 2024
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8GIZ
 
 | E. coli clamp loader with open clamp | Descriptor: | Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli. Nat Commun, 15, 2024
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8GIY
 
 | E. coli clamp loader with closed clamp | Descriptor: | Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli. Nat Commun, 15, 2024
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8GJ0
 
 | E. coli clamp loader with open clamp on primed template DNA (form 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta sliding clamp, DNA polymerase III subunit delta, ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli. Nat Commun, 15, 2024
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8GJ2
 
 | E. coli clamp loader with closed clamp on primed template DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta sliding clamp, DNA polymerase III subunit delta, ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli. Nat Commun, 15, 2024
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8F6C
 
 | E. coli cytochrome bo3 ubiquinol oxidase dimer | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | Deposit date: | 2022-11-16 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli. Protein Sci., 32, 2023
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9CS0
 
 | E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP1 | Descriptor: | Cyclic peptide CP1, Darobactin A, Outer membrane protein assembly factor BamA, ... | Authors: | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | Deposit date: | 2024-07-23 | Release date: | 2025-04-16 | Last modified: | 2025-04-23 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition. Nat Commun, 16, 2025
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9CS1
 
 | E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP2 | Descriptor: | Cyclic peptide CP2, Darobactin A, Outer membrane protein assembly factor BamA, ... | Authors: | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | Deposit date: | 2024-07-23 | Release date: | 2025-04-16 | Last modified: | 2025-04-23 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition. Nat Commun, 16, 2025
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9CS2
 
 | E. coli BamA beta-barrel bound to cyclic peptide CP3 | Descriptor: | Cyclic peptide CP3, Outer membrane protein assembly factor BamA, tetrabutylphosphonium | Authors: | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | Deposit date: | 2024-07-23 | Release date: | 2025-04-16 | Last modified: | 2025-04-23 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition. Nat Commun, 16, 2025
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6Y5M
 
 | Crystal structure of mouse Autotaxin in complex with compound 1a | Descriptor: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2020-02-25 | Release date: | 2020-11-18 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Development of autotaxin inhibitors: A series of tetrazole cinnamides. Bioorg.Med.Chem.Lett., 31, 2021
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6GL9
 
 | Crystal structure of JAK3 in complex with Compound 10 (FM475) | Descriptor: | (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ... | Authors: | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-23 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61, 2018
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6GLA
 
 | Crystal structure of JAK3 in complex with Compound 11 (FM481) | Descriptor: | (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ... | Authors: | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-23 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61, 2018
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8F68
 
 | E. coli cytochrome bo3 ubiquinol oxidase monomer | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | Deposit date: | 2022-11-16 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli. Protein Sci., 32, 2023
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5LRY
 
 | E coli [NiFe] Hydrogenase Hyd-1 mutant E28D | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | Deposit date: | 2016-08-22 | Release date: | 2017-09-13 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J.Am.Chem.Soc., 140, 2018
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5LJO
 
 | E. coli BAM complex (BamABCDE) by cryoEM | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | Deposit date: | 2016-07-19 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM. Nat Commun, 7, 2016
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5J4D
 
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4Y79
 
 | Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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