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7JI2
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BU of 7ji2 by Molmil
Crystal Structure of H2-Kb in complex with a OVA mutant peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J.
Deposit date:2020-07-22
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
7ZJ7
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BU of 7zj7 by Molmil
X-31 Hemagglutinin Precursor HA0 at pH 4.8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ...
Authors:Garcia-Moro, E, Rosenthal, P.B.
Deposit date:2022-04-08
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZJ8
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BU of 7zj8 by Molmil
X-31 Hemagglutinin Precursor HA0 at pH 7.5 after reneutralization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ...
Authors:Garcia-Moro, E, Rosenthal, P.B.
Deposit date:2022-04-08
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
4HY1
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BU of 4hy1 by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one, Topoisomerase IV, subunit B
Authors:Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
Descriptor: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-26
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
6AW0
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BU of 6aw0 by Molmil
Crystal structure of CEACAM3 L44Q
Descriptor: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ...
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2017-09-05
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
3FHE
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BU of 3fhe by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
Authors:Muckelbauer, J.K, Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
3B66
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BU of 3b66 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21
Descriptor: 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
4HXZ
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BU of 4hxz by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B
Authors:Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
5J91
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BU of 5j91 by Molmil
Structure of the Wild-type 70S E coli ribosome bound to Tigecycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-08
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
6AWK
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BU of 6awk by Molmil
PawL-Derived Peptide PLP-12
Descriptor: PLP-12
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-05
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
7AM9
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BU of 7am9 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-10-08
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6AZG
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BU of 6azg by Molmil
PawL-Derived Peptide PLP-10 (cis conformer)
Descriptor: GLY-SER-PRO-LEU-PHE-ASP
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-11
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
7ASQ
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BU of 7asq by Molmil
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the reaction product UMP at 0.95 Angstrom resolution
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F.
Deposit date:2020-10-28
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
3RLO
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BU of 3rlo by Molmil
Structural Basis of Cytosolic DNA Recognition by Innate Receptors
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Gamma-interferon-inducible protein 16
Authors:Jin, T.C, Xiao, T.
Deposit date:2011-04-19
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor.
Immunity, 36, 2012
4GGL
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BU of 4ggl by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
Descriptor: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:2012-08-06
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
3B67
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BU of 3b67 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
Descriptor: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
Descriptor: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
6AXI
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BU of 6axi by Molmil
PawL-Derived Peptide PLP-2
Descriptor: ASP-LEU-PHE-VAL-PRO-PRO-ILE-ASP
Authors:Fisher, M, Mylne, J.S, Howard, M.J.
Deposit date:2017-09-06
Release date:2018-03-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch.
Plant Direct, 2, 2018
6B9K
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BU of 6b9k by Molmil
Solution NMR Structure of Unbound P18-I10
Descriptor: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE
Authors:Flores-Solis, D, McShan, A, Sgourakis, N.
Deposit date:2017-10-10
Release date:2018-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle.
Nat. Chem. Biol., 14, 2018
3JAZ
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BU of 3jaz by Molmil
Atomic model of cytoplasmic polyhedrosis virus with ATP
Descriptor: Capsid protein VP1, Structural protein VP3, Viral structural protein 5
Authors:Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H.
Deposit date:2015-07-06
Release date:2015-08-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015

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數據於2024-07-10公開中

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