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8SDR
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BU of 8sdr by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
7B0M
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BU of 7b0m by Molmil
Sugar transaminase from a metagenome collected from troll oil field production water
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ...
Authors:Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S.
Deposit date:2020-11-20
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Sugar transaminases from hot environments
To Be Published
7M4H
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BU of 7m4h by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Reaction State Ternary Complex, 225 min
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M4B
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BU of 7m4b by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 60 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7QVI
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BU of 7qvi by Molmil
Fiber-forming RubisCO derived from ancestral sequence reconstruction and rational engineering
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
Authors:Schulz, L, Zarzycki, J, Prinz, S, Schuller, J.M, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-21
Release date:2022-10-12
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
8SDS
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BU of 8sds by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
7M47
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BU of 7m47 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 60 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
6XIH
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BU of 6xih by Molmil
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile
Descriptor: (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R.
Deposit date:2020-06-19
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile.
Bioorg.Med.Chem.Lett., 30, 2020
7M4J
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BU of 7m4j by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Product State Ternary Complex, 960 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M4C
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BU of 7m4c by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 960 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
6OCH
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BU of 6och by Molmil
Crystal structure of VASH1-SVBP complex bound with parthenolide
Descriptor: GLYCEROL, SULFATE ION, Small vasohibin-binding protein, ...
Authors:Li, F, Luo, X, Yu, H.
Deposit date:2019-03-23
Release date:2019-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis of tubulin detyrosination by vasohibins.
Nat.Struct.Mol.Biol., 26, 2019
8A5U
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BU of 8a5u by Molmil
Crystal structure of the beta3 subunit extracellular domain of nicotinic acetylcholine receptor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
Authors:Giastas, P, Zouridakis, M.
Deposit date:2022-06-16
Release date:2022-08-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Role of beta 3 nAChR Subunit in the Activation of Nicotinic Receptors.
Molecules, 27, 2022
7M4A
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BU of 7m4a by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 20 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M46
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BU of 7m46 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 5 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8X2R
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BU of 8x2r by Molmil
The Crystal Structure of HSP 90-alpha from Biortus.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
Deposit date:2023-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Crystal Structure of HSP 90-alpha from Biortus.
To Be Published
6U9R
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BU of 6u9r by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140)
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2019-09-09
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
7M4I
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BU of 7m4i by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Product State Ternary Complex, 420 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M45
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BU of 7m45 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Reaction State Ternary Complex, 120 sec
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M4G
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BU of 7m4g by Molmil
DNA Polymerase Lambda, dCTP:At Mg2+ Product State Ternary Complex, 960 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8IGU
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BU of 8igu by Molmil
Hexameric Ring Complex of Engineered V1-ATPase: A3(De)3_empty
Descriptor: V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2023-02-21
Release date:2023-07-12
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
5L83
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BU of 5l83 by Molmil
Complex of potato ATG8 protein with a peptide from Irish potato famine pathogen effector protein PexRD54
Descriptor: 1,2-ETHANEDIOL, ASP-TRP-GLU-ILE-VAL, Autophagy-related protein, ...
Authors:Maqbool, A, Hughes, R.K, Banfield, M.J.
Deposit date:2016-06-06
Release date:2016-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Host Autophagy-related Protein 8 (ATG8) Binding by the Irish Potato Famine Pathogen Effector Protein PexRD54.
J.Biol.Chem., 291, 2016
8I67
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BU of 8i67 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I
Descriptor: 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
6YZ3
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BU of 6yz3 by Molmil
PqsR (MvfR) in complex with antagonist 19
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, LysR family transcriptional regulator
Authors:Richardson, W.K, Emsley, J.
Deposit date:2020-05-06
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6YZA
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BU of 6yza by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
8X5M
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BU of 8x5m by Molmil
The Crystal Structure of JNK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-11-17
Release date:2023-12-27
Last modified:2025-09-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of JNK1 from Biortus.
To Be Published

245396

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