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7NOZ
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BU of 7noz by Molmil
Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 alpha chain, Complement C3 beta chain, ...
Authors:Lorenzen, J, Pedersen, D.V, Andersen, G.R.
Deposit date:2021-02-26
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure determination of an unstable macromolecular complex enabled by nanobody-peptide bridging.
Protein Sci., 31, 2022
5CIS
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BU of 5cis by Molmil
The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-13
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
5CKM
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BU of 5ckm by Molmil
The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
7ATZ
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BU of 7atz by Molmil
G-quadruplex with V-shaped loop from the first repeat of KCNN4 minisatellite
Descriptor: DNA (5'-D(*GP*GP*TP*CP*TP*GP*AP*GP*GP*GP*AP*GP*AP*GP*GP*GP*GP*CP*TP*GP*GP*GP*T)-3')
Authors:Vianney, Y.M, Weisz, K.
Deposit date:2020-11-02
Release date:2021-04-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:First Tandem Repeat of a Potassium Channel KCNN4 Minisatellite Folds into a V-Loop G-Quadruplex Structure.
Biochemistry, 60, 2021
6SOY
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BU of 6soy by Molmil
Trypanosoma brucei transferrin receptor in complex with human transferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, subunit of heterodimeric transferrin receptor, ...
Authors:Trevor, C, Carrington, M, Higgins, M.K.
Deposit date:2019-08-30
Release date:2019-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion.
Nat Microbiol, 4, 2019
6S9K
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BU of 6s9k by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 peptide containing 14-3-3 binding motif Ser139 and NLS
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, 14-3-3 protein gamma, Caspase-2
Authors:Alblova, M, Obsil, T, Obsilova, V.
Deposit date:2019-07-15
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 2020
7NWD
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BU of 7nwd by Molmil
Three-quartet c-kit2 G-quadruplex stabilized by a pyrene conjugate
Descriptor: POTASSIUM ION, c-kit2_py1
Authors:Peterkova, K, Durnik, I, Marek, R, Plavec, J, Podbevsek, P.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:c-kit2 G-quadruplex stabilized via a covalent probe: exploring G-quartet asymmetry.
Nucleic Acids Res., 49, 2021
5OLM
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BU of 5olm by Molmil
TRIM21
Descriptor: E3 ubiquitin-protein ligase TRIM21, ZINC ION
Authors:James, L.C.
Deposit date:2017-07-28
Release date:2018-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Intracellular antibody signalling is regulated by phosphorylation of the Fc receptor TRIM21.
Elife, 7, 2018
7OD0
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BU of 7od0 by Molmil
Mirolysin in complex with compound 9
Descriptor: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ...
Authors:Zak, K.M, Bostock, M.J, Ksiazek, M.
Deposit date:2021-04-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia .
J Enzyme Inhib Med Chem, 36, 2021
6SJU
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BU of 6sju by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 3 covalently bound to H57
Descriptor: (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-13
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
7AKV
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BU of 7akv by Molmil
The cryo-EM structure of the Vag8-C1 inhibitor complex
Descriptor: Plasma protease C1 inhibitor, Vag8
Authors:Johnson, S, Lea, S.M, Deme, J.C, Furlong, E, Dhillon, A.
Deposit date:2020-10-02
Release date:2021-06-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular Basis for Bordetella pertussis Interference with Complement, Coagulation, Fibrinolytic, and Contact Activation Systems: the Cryo-EM Structure of the Vag8-C1 Inhibitor Complex.
Mbio, 12, 2021
6SHI
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BU of 6shi by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 2 covalently bound to H57
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-06
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
5ONQ
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BU of 5onq by Molmil
Alzheimer's Amyloid-Beta Peptide Fragment 29-40 in Complex with Cd-substituted Thermolysin
Descriptor: Amyloid-beta A4 protein, CADMIUM ION, CALCIUM ION, ...
Authors:Leite, J.P, Gales, L.
Deposit date:2017-08-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Alzheimer's A beta1-40peptide degradation by thermolysin: evidence of inhibition by a C-terminal A beta product.
FEBS Lett., 593, 2019
6SAD
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BU of 6sad by Molmil
Structure of 14-3-3 gamma in complex with double phosphorylated caspase-2 peptide on Ser139 and Ser164
Descriptor: 14-3-3 protein gamma, Caspase-2
Authors:Kalabova, D, Obsil, T, Obsilova, V.
Deposit date:2019-07-16
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 2020
7NXV
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BU of 7nxv by Molmil
Crystal structure of the complex of DNase I/G-actin/PPP1R15A_582-621
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yan, Y, Ron, D.
Deposit date:2021-03-19
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
7NZM
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BU of 7nzm by Molmil
Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Yan, Y, Hardwick, S, Ron, D.
Deposit date:2021-03-24
Release date:2021-09-29
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
5OX6
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BU of 5ox6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Zhang, D, Schofield, C.J.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5CKN
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BU of 5ckn by Molmil
The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+
Descriptor: CALCIUM ION, Mannan-binding lectin serine peptidase 2
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
7OFK
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BU of 7ofk by Molmil
Ligand complex of RORg LBD
Descriptor: (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2021-05-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
7OFI
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BU of 7ofi by Molmil
Ligand complex of RORg LBD
Descriptor: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2021-05-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
6SHH
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BU of 6shh by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57
Descriptor: (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-06
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
6ZXK
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BU of 6zxk by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
7OIH
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BU of 7oih by Molmil
Glycosylation in the crystal structure of neutrophil myeloperoxidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Krawczyk, L, Semwal, S, Bouckaert, J.
Deposit date:2021-05-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase.
Acta Crystallogr D Struct Biol, 78, 2022
4ZVL
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BU of 4zvl by Molmil
Oxidized quinone reductase 2 in complex with acridine orange
Descriptor: ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Leung, K.K, Shilton, B.H.
Deposit date:2015-05-18
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2.
Biochemistry, 54, 2015
6ST3
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BU of 6st3 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
Descriptor: 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ...
Authors:Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J.
Deposit date:2019-09-10
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020

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