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8QX2
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BU of 8qx2 by Molmil
Aplysia californica acetylcholine-binding protein in complex with racemic spiroimine (+)/(-)-4
Descriptor: ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, Spiroimine (+)-4 R
Authors:Sulzenbacher, G, Bourne, Y, Marchot, P.
Deposit date:2023-10-20
Release date:2024-04-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
5JY7
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BU of 5jy7 by Molmil
Complex of Mycobacterium smegmatis trehalose synthase with maltokinase
Descriptor: CALCIUM ION, Maltokinase, Trehalose synthase/amylase TreS
Authors:Futterer, K, Kermani, A.A, Besra, G.S.
Deposit date:2016-05-13
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of the TreS-Pep2 complex, initiating alpha-glucan synthesis in the GlgE pathway of mycobacteria.
J.Biol.Chem., 2019
5K3J
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BU of 5k3j by Molmil
Crystals structure of Acyl-CoA oxidase-2 in Caenorhabditis elegans bound with FAD, ascaroside-CoA, and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A.
Deposit date:2016-05-19
Release date:2016-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
8HST
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BU of 8hst by Molmil
The structure of rat beta-arrestin1
Descriptor: Beta-arrestin-1
Authors:Yun, Y, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2022-12-20
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:GPCR targeting of E3 ubiquitin ligase MDM2 by inactive beta-arrestin.
Proc.Natl.Acad.Sci.USA, 120, 2023
6HC9
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BU of 6hc9 by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 2.4 A RESOLUTION.
Descriptor: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-14
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
5K1J
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BU of 5k1j by Molmil
Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Stura, E.A, Ciccone, L, Shepard, W.
Deposit date:2016-05-18
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Human TTR conformation altered by rhenium tris-carbonyl derivatives.
J.Struct.Biol., 195, 2016
6TT1
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BU of 6tt1 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with 33RE.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
5NMR
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BU of 5nmr by Molmil
Monomeric mouse Sortilin extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C.
Deposit date:2017-04-07
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Wei, H, Guo, M, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wei, H, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
1GNB
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BU of 1gnb by Molmil
DETERMINATION OF THE SOLUTION STRUCTURE OF THE PEPTIDE HORMONE GUANYLIN: OBSERVATION OF A NOVEL FORM OF TOPOLOGICAL STEREOISOMERISM
Descriptor: GUANYLIN PRECURSOR
Authors:Skelton, N.J, Garcia, K.C.
Deposit date:1994-06-30
Release date:1994-09-30
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Determination of the solution structure of the peptide hormone guanylin: observation of a novel form of topological stereoisomerism.
Biochemistry, 33, 1994
1YUW
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BU of 1yuw by Molmil
crystal structure of bovine hsc70(aa1-554)E213A/D214A mutant
Descriptor: Heat shock cognate 71 kDa protein
Authors:Jiang, J, Lafer, E.M, Prasad, K, Sousa, R.
Deposit date:2005-02-14
Release date:2005-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of interdomain communication in the Hsc70 chaperone
Mol.Cell, 20, 2005
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wang, H, Wei, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
6HCA
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BU of 6hca by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 A RESOLUTION
Descriptor: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-14
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6CKO
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BU of 6cko by Molmil
Crystal structure of an AF10 fragment
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10, ...
Authors:Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
8HSV
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BU of 8hsv by Molmil
The structure of rat beta-arrestin1 in complex with a rat Mdm2 peptide
Descriptor: Beta-arrestin-1, SULFATE ION, peptide from E3 ubiquitin-protein ligase Mdm2
Authors:Yun, Y, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2022-12-20
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:GPCR targeting of E3 ubiquitin ligase MDM2 by inactive beta-arrestin.
Proc.Natl.Acad.Sci.USA, 120, 2023
6TT4
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BU of 6tt4 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
6NW9
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BU of 6nw9 by Molmil
CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Greenfield, J.Y, Herzberg, O.
Deposit date:2019-02-06
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3).
Sci Rep, 9, 2019
6HMF
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BU of 6hmf by Molmil
D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease) H451 proof-reading deficient variant
Descriptor: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
Authors:Raia, P, Delarue, M, Sauguet, L.
Deposit date:2018-09-12
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases.
PLoS Biol., 17, 2019
5NPU
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BU of 5npu by Molmil
Inferred ancestral pyruvate decarboxylase
Descriptor: ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
Deposit date:2017-04-19
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5N2X
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BU of 5n2x by Molmil
Thermolysin in complex with inhibitor JC272
Descriptor: (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Cramer, J, Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.209 Å)
Cite:Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
5KDE
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BU of 5kde by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate
Descriptor: 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2-
Authors:Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
5KDL
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BU of 5kdl by Molmil
Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
Authors:Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
Deposit date:2016-06-08
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.665 Å)
Cite:A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor.
J.Biol.Chem., 291, 2016
6HKB
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BU of 6hkb by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Descriptor: (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
5K5S
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BU of 5k5s by Molmil
Crystal structure of the active form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016

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