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6FGT
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BU of 6fgt by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6Q0W
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BU of 6q0w by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6FBU
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BU of 6fbu by Molmil
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate
Descriptor: ACETATE ION, DNA (5'-D(P*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3'), DNA (5'-D(P*GP*GP*CP*TP*TP*CP*AP*TP*CP*CP*TP*G)-3'), ...
Authors:Pomyalov, S, Lansky, S, Golan, G, Zharkov, D.O, Grollman, A.P, Shoham, G.
Deposit date:2017-12-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate
To Be Published
6CD9
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BU of 6cd9 by Molmil
GID4 in complex with a peptide
Descriptor: Glucose-induced degradation protein 4 homolog, Tetrapeptide PSRW, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
5UJ7
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BU of 5uj7 by Molmil
Structure of the active form of human Origin Recognition Complex ATPase motor module, complex subunitS 1, 4, 5
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
Authors:Tocilj, A, Elkayam, E, On, K.F, Joshua-Tor, L.
Deposit date:2017-01-17
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
7ZTN
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BU of 7ztn by Molmil
Crystal structure of fungal CE16 acetyl xylan esterase
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E.
Deposit date:2022-05-10
Release date:2023-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase.
Carbohydr Polym, 327, 2024
7KJZ
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BU of 7kjz by Molmil
crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate
Descriptor: 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7
Authors:Marassi, F.M, Aleshin, A.E, Liddington, R.C.
Deposit date:2020-10-26
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
6FGZ
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BU of 6fgz by Molmil
Cyanidioschyzon merolae Dnm1 (CmDnm1)
Descriptor: Dynamin
Authors:Bohuszewicz, O, Low, H.H.
Deposit date:2018-01-11
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (7.002 Å)
Cite:Structure of a mitochondrial fission dynamin in the closed conformation.
Nat. Struct. Mol. Biol., 25, 2018
6CDA
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BU of 6cda by Molmil
Crystal structure of L34A CzrA in the Zn(II)bound state
Descriptor: ArsR family transcriptional regulator, CHLORIDE ION, GLYCEROL, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2018-02-08
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
7ZG3
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BU of 7zg3 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-04-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
To Be Published
6YB4
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BU of 6yb4 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-(3-methylpyrrolidin-1-yl)sulfonyl)phenyl)-2-(-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Chung, C.
Deposit date:2020-03-15
Release date:2020-05-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode.
J.Med.Chem., 63, 2020
6Q2F
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BU of 6q2f by Molmil
Structure of Rhamnosidase from Novosphingobium sp. PP1Y
Descriptor: Glycoside hydrolase family protein, SODIUM ION
Authors:Terry, B, Ha, J, Izzo, V, Sazinsky, M.H.
Deposit date:2019-08-07
Release date:2019-11-27
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.20000076 Å)
Cite:The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
6FC3
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BU of 6fc3 by Molmil
Crystal structure of the eIF4E-p20 complex from Saccharomyces cerevisiae
Descriptor: Cap-associated protein CAF20, Eukaryotic translation initiation factor 4E, GLYCEROL, ...
Authors:Gruener, S, Valkov, E.
Deposit date:2017-12-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural motifs in eIF4G and 4E-BPs modulate their binding to eIF4E to regulate translation initiation in yeast.
Nucleic Acids Res., 46, 2018
8SA8
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BU of 8sa8 by Molmil
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, Covalently bound and free PLP (I2 form)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cystathionine beta-lyase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-03-31
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (I2 form)
To be published
5UKF
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BU of 5ukf by Molmil
Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor
Descriptor: 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-01-22
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
7KWW
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BU of 7kww by Molmil
X-ray Crystal Structure of PlyCB Mutant K59H
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB
Authors:Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S.
Deposit date:2020-12-02
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
8SAB
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BU of 8sab by Molmil
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALANYL-PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-03-31
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)
To be published
5VB7
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BU of 5vb7 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide
Descriptor: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
6Y4S
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BU of 6y4s by Molmil
Human kallikrein-related peptidase 7 (KLK7) in the unliganded state
Descriptor: Kallikrein-7, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Hanke, S, Strater, N.
Deposit date:2020-02-23
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
7KK7
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BU of 7kk7 by Molmil
crystal structure of ligand-free PLEKHA7 PH domain
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pleckstrin homology domain-containing family A member 7
Authors:Marassi, F.M, Aleshin, A.E, Liddington, R.C.
Deposit date:2020-10-27
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
6Y58
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BU of 6y58 by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION
Authors:Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
8SAD
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BU of 8sad by Molmil
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (C2 form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cystathionine beta-lyase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-03-31
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (C2 form)
To be published
6Q3K
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BU of 6q3k by Molmil
Engineered Human HLA_A2 MHC Class I molecule in complex with NV9 peptide
Descriptor: ASN-LEU-VAL-PRO-MET-VAL-ALA-THR-VAL, Beta-2-microglobulin, COBALT (II) ION, ...
Authors:Meijers, R, Anjanappa, R, Springer, S, Garcia-Alai, M.
Deposit date:2018-12-04
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered Human HLA_A2MHC Class I molecule in complex with NV9 peptide
Sci Immunol, 2019
8SC0
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BU of 8sc0 by Molmil
Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, orthorhombic form)
Descriptor: 2,3-dihydroxybenzoate-2,3-dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-04-04
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, orthorhombic form)
To be published
7Q2I
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BU of 7q2i by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine
Descriptor: 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-10-25
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published

224201

數據於2024-08-28公開中

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