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6PRR
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BU of 6prr by Molmil
The crystal structure of 3-methylaminobenzoate-bound CYP199A4
Descriptor: 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-07-11
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
7L3M
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BU of 7l3m by Molmil
PEPCK MMQX structure 40ms post-mixing with oxaloacetic acid
Descriptor: CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E.
Deposit date:2020-12-18
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection.
Iucrj, 8, 2021
8H6C
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BU of 8h6c by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with malonyl-CoA
Descriptor: Histone acetyltransferase KAT2A, MALONYL-COENZYME A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-16
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
7L3J
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BU of 7l3j by Molmil
T4 Lysozyme L99A - benzylacetate - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L37
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BU of 7l37 by Molmil
T4 Lysozyme L99A - Apo - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
2PG0
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BU of 2pg0 by Molmil
Crystal structure of acyl-CoA dehydrogenase from Geobacillus kaustophilus
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Chen, L, Chen, L.-Q, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhao, M, Li, Y, Fu, Z.-Q, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-06
Release date:2007-05-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of acyl-CoA dehydrogenase from G. kaustophilus
To be Published
7L5M
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BU of 7l5m by Molmil
Crystal Structure of the DiB-RM-split Protein
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lipocalin family protein, SODIUM ION, ...
Authors:Bozhanova, N.G, Harp, J.M, Meiler, J.
Deposit date:2020-12-22
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
8H65
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BU of 8h65 by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with butyryl-CoA
Descriptor: Butyryl Coenzyme A, Histone acetyltransferase KAT2A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-15
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
7L1J
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BU of 7l1j by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 1
Descriptor: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2020-12-14
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
8GF1
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BU of 8gf1 by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8060 inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-07
Release date:2023-05-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7L3A
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BU of 7l3a by Molmil
T4 Lysozyme L99A - toluene - cryo
Descriptor: Endolysin, TOLUENE
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3H
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BU of 7l3h by Molmil
T4 Lysozyme L99A - ethylbenzene - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L5L
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BU of 7l5l by Molmil
Crystal structure of the DiB-RM protein
Descriptor: Lipocalin family protein, SULFATE ION
Authors:Bozhanova, N.G, Harp, J.M, Meiler, J.
Deposit date:2020-12-22
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
8GFC
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BU of 8gfc by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv17b inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
2POG
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BU of 2pog by Molmil
Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold.
Descriptor: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor
Authors:Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A.
Deposit date:2007-04-26
Release date:2007-09-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
7L39
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BU of 7l39 by Molmil
T4 Lysozyme L99A - toluene - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
6PDL
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BU of 6pdl by Molmil
Crystal Structure of Hendra Virus Attachment G Glycoprotein in Complex with Receptor Ephrin-B2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Attachment glycoprotein, ...
Authors:Xu, K, Nikolov, D.B.
Deposit date:2019-06-19
Release date:2019-11-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New insights into the Hendra virus attachment and entry process from structures of the virus G glycoprotein and its complex with Ephrin-B2.
PLoS ONE, 7, 2012
8H3M
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BU of 8h3m by Molmil
Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein
Authors:Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
Deposit date:2022-10-09
Release date:2023-05-10
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
7L3B
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BU of 7l3b by Molmil
T4 Lysozyme L99A - iodobenzene - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
8GFF
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BU of 8gff by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7146 inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7L3G
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BU of 7l3g by Molmil
T4 Lysozyme L99A - 4-iodotoluene - cryo
Descriptor: 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
8GFE
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BU of 8gfe by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3261 inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7L3K
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BU of 7l3k by Molmil
T4 Lysozyme L99A - benzylacetate - cryo
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3C
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BU of 7l3c by Molmil
T4 Lysozyme L99A - o-xylene - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
8GFM
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BU of 8gfm by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with zanamivir amine inhibitor
Descriptor: 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CITRIC ACID, Lytic transglycosylase domain-containing protein
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023

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数据于2025-10-15公开中

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