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9MNZ
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BU of 9mnz by Molmil
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
8RPO
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BU of 8rpo by Molmil
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
4CM8
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BU of 4cm8 by Molmil
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
4CM6
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BU of 4cm6 by Molmil
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
6EYI
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BU of 6eyi by Molmil
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
6QEL
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BU of 6qel by Molmil
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
6QEM
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BU of 6qem by Molmil
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
8GJ3
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BU of 8gj3 by Molmil
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
8GJ1
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BU of 8gj1 by Molmil
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
8GIZ
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BU of 8giz by Molmil
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
8GIY
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BU of 8giy by Molmil
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
8GJ0
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BU of 8gj0 by Molmil
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
8GJ2
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BU of 8gj2 by Molmil
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
8F6C
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BU of 8f6c by Molmil
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
9CS0
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BU of 9cs0 by Molmil
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
9CS1
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BU of 9cs1 by Molmil
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
9CS2
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BU of 9cs2 by Molmil
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
6Y5M
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BU of 6y5m by Molmil
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
6GL9
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BU of 6gl9 by Molmil
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
6GLA
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BU of 6gla by Molmil
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
8F68
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BU of 8f68 by Molmil
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
5LRY
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BU of 5lry by Molmil
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
5LJO
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BU of 5ljo by Molmil
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
5J4D
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BU of 5j4d by Molmil
E. coli release factor 1 bound to the 70S ribosome in response to a pseudouridylated stop codon
Descriptor: 16S ribosomal RNA, 25S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Korostelev, A.A.
Deposit date:2016-03-31
Release date:2016-05-18
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Translation Termination on a Pseudouridylated Stop Codon.
J.Mol.Biol., 428, 2016
4Y79
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BU of 4y79 by Molmil
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

238582

數據於2025-07-09公開中

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