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8TOQ
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BU of 8toq by Molmil
ACE2-peptide 1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Christie, M, Payne, R.J.
Deposit date:2023-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOS
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BU of 8tos by Molmil
ACE2-peptide 6 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Christie, M, Payne, R.
Deposit date:2023-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOR
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BU of 8tor by Molmil
ACE2-peptide 2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Christie, M, Payne, R.J.
Deposit date:2023-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOT
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BU of 8tot by Molmil
ACE2-peptide2 complex crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Christie, M, Payne, R.J.
Deposit date:2023-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOU
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BU of 8tou by Molmil
ACE2-peptide 2 complex crystal form 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Franck, C, Payne, R.J, Christie, M.
Deposit date:2023-08-04
Release date:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
6CT6
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BU of 6ct6 by Molmil
Crystal structure of lactate dehydrogenase from Eimeria maxima with NADH and oxamate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Lactate dehydrogenase, OXAMIC ACID, ...
Authors:Wirth, J.D, Xu, C, Theobald, D.L.
Deposit date:2018-03-22
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:The Mechanistic, Structural, and Evolutionary Origin of Lactate Dehydrogenase Substrate Specificity in Apicomplexa
To Be Published
7TO9
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BU of 7to9 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE)
Descriptor: 2xAcK.4xE (diAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
Authors:Mackay, J.P, Low, J.K.K, Patel, K.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO8
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BU of 7to8 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.1)
Descriptor: 2xAcK.1 (diAcK.1), Bromodomain-containing protein 3, GLYCEROL
Authors:Patel, K, Low, J.K.K, Mackay, J.P.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TOA
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BU of 7toa by Molmil
BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1)
Descriptor: 3xAcK.1 (triAcK.1), Bromodomain-containing protein 3, GLYCEROL
Authors:Patel, K, Low, J.K.K, Mackay, J.P.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
6JDJ
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BU of 6jdj by Molmil
Crystal structure of AcrIIC2 dimer in complex with partial Nme1Cas9
Descriptor: AcrIIC2, CRISPR-associated endonuclease Cas9
Authors:Cheng, Z, Huang, X, Sun, W, Wang, Y.
Deposit date:2019-02-01
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
7TO7
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BU of 7to7 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE)
Descriptor: 1xAcK.4xE (monoAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
Authors:Mackay, J.P, Low, J.K.K, Patel, K.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
7UNX
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BU of 7unx by Molmil
NMR solution structure of xanthusin-1
Descriptor: Xanthusin-1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2022-04-12
Release date:2023-04-19
Method:SOLUTION NMR
Cite:Discovery of five classes of bacterial defensins: ancestral precursors of defensins from Eukarya?
To Be Published
4L7S
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BU of 4l7s by Molmil
Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor
Descriptor: SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
Authors:Somers, D.O.
Deposit date:2013-06-14
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
6JDX
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BU of 6jdx by Molmil
Crystal structure of AcrIIC2 dimer in complex with partial Nme1Cas9 preprocessed with protease alpha-Chymotrypsin
Descriptor: 1,2-ETHANEDIOL, AcrIIC2, CRISPR-associated endonuclease Cas9
Authors:Cheng, Z, Huang, X, Sun, W, Wang, Y.
Deposit date:2019-02-02
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
6MNZ
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BU of 6mnz by Molmil
Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii.
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION
Authors:Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2018-10-03
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii.
Cell Chem Biol, 26, 2019
1GH9
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BU of 1gh9 by Molmil
SOLUTION STRUCTURE OF A 8.3 KDA PROTEIN (GENE MTH1184) FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: 8.3 KDA PROTEIN (GENE MTH1184)
Authors:Kozlov, G, Ekiel, I, Gehring, K, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-11-30
Release date:2000-12-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
2M7A
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BU of 2m7a by Molmil
Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5
Descriptor: Uncharacterized protein, ZINC ION
Authors:Donaldson, L.W.F.
Deposit date:2013-04-18
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures of Two Prophage Homologues of the Bacteriophage lambda Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold.
Biochemistry, 52, 2013
2CTI
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BU of 2cti by Molmil
DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING
Descriptor: TRYPSIN INHIBITOR
Authors:Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T.
Deposit date:1990-08-28
Release date:1992-01-15
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing.
J.Mol.Biol., 210, 1989
2M7B
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BU of 2m7b by Molmil
ORF PP_3909 from Pseudomonas putida KT2440 encoding a protein similar to bacteriophage lambda ea8.5
Descriptor: ZINC ION, uncharacterized protein
Authors:Donaldson, L.W.F.
Deposit date:2013-04-18
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures of Two Prophage Homologues of the Bacteriophage lambda Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold.
Biochemistry, 52, 2013
5JPL
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BU of 5jpl by Molmil
LP2006, a handcuff-topology lasso peptide antibiotic
Descriptor: Uncharacterized protein
Authors:Tietz, J.I, Schwalen, C.J, Blair, P.M, Zakai, U.I, Mitchell, D.A.
Deposit date:2016-05-03
Release date:2017-03-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A new genome-mining tool redefines the lasso peptide biosynthetic landscape.
Nat. Chem. Biol., 13, 2017
5IDZ
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BU of 5idz by Molmil
Structure of Human Enolase 2 in complex with (S)-(1-hydroxy-2-oxopiperidin-3-yl)phosphonate
Descriptor: Gamma-enolase, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
Authors:Leonard, P.G, Muller, F.L.
Deposit date:2016-02-24
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma
To Be Published
7B5K
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BU of 7b5k by Molmil
E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain.
Descriptor: 16S rRNA, 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid, 23S rRNA, ...
Authors:Albers, S, Beckert, B, Matthies, M, Schuster, R, Riedner, M, Seuring, C, Sanyal, S, Torda, A, Wilson, N.D, Ignatova, Z.
Deposit date:2020-12-03
Release date:2021-05-26
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Harnessing evolutionarily flexibility in tRNAs to maximize nonsense suppression activities
Nat Commun, 2021
5GSQ
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BU of 5gsq by Molmil
Crystal structure of IgG Fc with a homogeneous glycoform and Antibody-Dependent Cellular Cytotoxicity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, C.-L, Hsu, J.-C, Lin, C.-W, Wu, C.-Y, Wong, C.-H, Ma, C.
Deposit date:2016-08-17
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a Homogeneous IgG-Fc Glycoform with the N-Glycan Designed to Maximize the Antibody Dependent Cellular Cytotoxicity
ACS Chem. Biol., 12, 2017
5H5O
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BU of 5h5o by Molmil
A cyclic-GMP-dependent signalling pathway regulates bacterial phytopathogenesis
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Diguanylate cyclase
Authors:Chin, K.H, Chou, S.-H.
Deposit date:2016-11-08
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.122 Å)
Cite:A cyclic GMP-dependent signalling pathway regulates bacterial phytopathogenesis
EMBO J., 32, 2013

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