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7OWF
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BU of 7owf by Molmil
KlenTaq DNA polymerase in a ternary complex with primer/template and the fluorescent nucleotide analog BFdUTP
Descriptor: DNA polymerase I, thermostable, GLYCEROL, ...
Authors:Betz, K, Srivatsan, S.G.
Deposit date:2021-06-18
Release date:2022-06-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Microenvironment-Sensitive Fluorescent Nucleotide Probes from Benzofuran, Benzothiophene, and Selenophene as Substrates for DNA Polymerases.
J.Am.Chem.Soc., 144, 2022
8OUY
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BU of 8ouy by Molmil
Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 3.4 A resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
Authors:Greenhough, L.A, Liang, C.C, West, S.C.
Deposit date:2023-04-25
Release date:2023-06-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Nature, 619, 2023
8OUZ
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BU of 8ouz by Molmil
Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 2.2 A resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ...
Authors:Greenhough, L.A, Liang, C.C, West, S.C.
Deposit date:2023-04-25
Release date:2023-06-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Nature, 619, 2023
1K46
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BU of 1k46 by Molmil
Crystal Structure of the Type III Secretory Domain of Yersinia YopH Reveals a Domain-Swapped Dimer
Descriptor: PROTEIN-TYROSINE PHOSPHATASE YOPH
Authors:Smith, C.L, Khandelwal, P, Keliikuli, K, Zuiderweg, E.R.P, Saper, M.A.
Deposit date:2001-10-05
Release date:2001-11-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the type III secretion and substrate-binding domain of Yersinia YopH phosphatase.
Mol.Microbiol., 42, 2001
5NTW
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BU of 5ntw by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5NTP
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BU of 5ntp by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: (S)-N-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5NTQ
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BU of 5ntq by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5MU3
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BU of 5mu3 by Molmil
Crystal structure of Ctf19-Mcm21 kinetochore assembly bound with Ctf19-Mcm21 binding motif of central kinetochore subunit Okp1
Descriptor: Central kinetochore subunit CTF19, Central kinetochore subunit MCM21, Central kinetochore subunit Okp1
Authors:Schmitzberger, F.
Deposit date:2017-01-12
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for inner kinetochore configuration through RWD domain-peptide interactions.
EMBO J., 36, 2017
5NU1
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BU of 5nu1 by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5N9B
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BU of 5n9b by Molmil
Crystal Structure of unliganded human IL-17RA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A
Authors:Rondeau, J.-M, Goepfert, A.
Deposit date:2017-02-24
Release date:2018-06-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
5NTK
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BU of 5ntk by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: Nuclear receptor ROR-gamma, [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5NTI
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BU of 5nti by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: ASN-SER-HIS-GLN-LYS-VAL-THR-LEU-LEU-GLN-LEU-LEU-LEU-GLY-HIS-LYS-ASN-GLU-GLU-ASN, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5NTN
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BU of 5ntn by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Descriptor: (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
Authors:Kallen, J.
Deposit date:2017-04-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
5NAN
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BU of 5nan by Molmil
Crystal Structure of human IL-17AF in complex with human IL-17RA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ...
Authors:Rondeau, J.-M, Goepfert, A.
Deposit date:2017-02-28
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
1GFZ
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BU of 1gfz by Molmil
FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE
Descriptor: CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ...
Authors:Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
Deposit date:2000-06-29
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
1FUJ
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BU of 1fuj by Molmil
PR3 (MYELOBLASTIN)
Descriptor: PR3, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Fujinaga, M, Chernaia, M.M, Halenbeck, R, Koths, K, James, M.N.G.
Deposit date:1996-01-25
Release date:1996-07-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of PR3, a neutrophil serine proteinase antigen of Wegener's granulomatosis antibodies.
J.Mol.Biol., 261, 1996
1MCV
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BU of 1mcv by Molmil
Crystal Structure Analysis of a Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase
Descriptor: CALCIUM ION, Elastase 1, HEI-TOE I, ...
Authors:Ay, J, Hilpert, K, Krauss, N, Schneider-Mergener, J, Hoehne, W.
Deposit date:2002-08-06
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
6DXG
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BU of 6dxg by Molmil
amidobenzimidazole (ABZI) STING agonists
Descriptor: 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein
Authors:Concha, N.O.
Deposit date:2018-06-28
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
Descriptor: 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein
Authors:Concha, N.O.
Deposit date:2018-06-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
6WAR
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BU of 6war by Molmil
Crystal structure of the MERS-CoV RBD bound by the neutralizing single-domain antibody MERS VHH-55
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein, nanobody MERS VHH-55
Authors:Wrapp, D, Torres, G.M, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
6FPG
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BU of 6fpg by Molmil
Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin
Descriptor: CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ...
Authors:Altegoer, F, Steinchen, W, Bange, G.
Deposit date:2018-02-09
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
2X1K
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BU of 2x1k by Molmil
H71S mutant of the antibiotic resistance protein NimA from Deinococcus radiodurans
Descriptor: ACETATE ION, NIMA-RELATED PROTEIN
Authors:Leiros, H.S, Brandsdal, B.O, McSweeney, S.M.
Deposit date:2010-01-07
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biophysical Characterization and Mutational Analysis of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Biochim.Biophys.Acta, 1804, 2010
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
Descriptor: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
Authors:Freigang, J.
Deposit date:2023-10-10
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024

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