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7KZG
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BU of 7kzg by Molmil
Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pidugu, L.S, Pozharski, E, Drohat, A.C.
Deposit date:2020-12-10
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
7KZ1
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BU of 7kz1 by Molmil
Human MBD4 glycosylase domain bound to DNA containing an abasic site
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), ...
Authors:Pidugu, L.S, Bright, H, Pozharski, E, Drohat, A.C.
Deposit date:2020-12-09
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
6GIT
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BU of 6git by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - PRODUCT COMPLEX
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:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GNL
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BU of 6gnl by Molmil
Zr(IV)-substituted Keggin directly binding to the side chain of Hen Egg-White Lysozyme (HEWL)
Descriptor: CHLORIDE ION, Lysozyme C, ZIRCONIUM(IV) PHOSPHOTUNGSTATE KEGGIN
Authors:Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
Deposit date:2018-05-31
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Direct observation of the ZrIVinteraction with the carboxamide bond in a noncovalent complex between Hen Egg White Lysozyme and a Zr-substituted Keggin polyoxometalate.
Acta Crystallogr C Struct Chem, 74, 2018
6GO9
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BU of 6go9 by Molmil
Structure of GFPmut2 crystallized at pH 6 and transferred to pH 7
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Green fluorescent protein
Authors:Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R.
Deposit date:2018-06-01
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography.
J.Phys.Chem.B, 122, 2018
7KX4
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BU of 7kx4 by Molmil
Anti-CCHFV ADI-36121 Fab
Descriptor: ADI-36121 Fab heavy chain, ADI-36121 Fab light chain
Authors:Mishra, A.K, McLellan, J.S.
Deposit date:2020-12-03
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.
Science, 375, 2022
6GFV
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BU of 6gfv by Molmil
M tuberculosis LpqI
Descriptor: Probable conserved lipoprotein LpqI
Authors:Moynihan, P.J, Lovering, A.L.
Deposit date:2018-05-02
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The hydrolase LpqI primes mycobacterial peptidoglycan recycling.
Nat Commun, 10, 2019
7T15
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BU of 7t15 by Molmil
Hexameric SIVcpz CA
Descriptor: Capsid protein p24
Authors:Jacques, D.A, Dickson, C.F, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T14
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BU of 7t14 by Molmil
Hexameric SIVmac CA
Descriptor: Capsid protein p24
Authors:Jacques, D.A, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T31
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BU of 7t31 by Molmil
X-ray Structure of Clostridiodies difficile PilW
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Putative pilin protein chimera
Authors:Ronish, L.A, Piepenbrink, K.H.
Deposit date:2021-12-06
Release date:2022-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of extracellular DNA by type IV pili promotes biofilm formation by Clostridioides difficile.
J.Biol.Chem., 298, 2022
7T99
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BU of 7t99 by Molmil
Crystal structure of engineered CYS-CYS fab dimer CL-205 (LC25)
Descriptor: FAB Heavy Chain, FAB Light Chain, PHOSPHATE ION
Authors:Harris, S.F, Boenig, G.D.L.
Deposit date:2021-12-18
Release date:2022-10-12
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Antibody interfaces revealed through structural mining.
Comput Struct Biotechnol J, 20, 2022
7KQK
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BU of 7kqk by Molmil
anti-pTau C21-ABS Fab in complex with pTau peptide
Descriptor: Heavy chain of Fab fragment, Light chain of Fab fragment, pTau peptide
Authors:Mosyak, L, Brinth, A.
Deposit date:2020-11-16
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:anti-pTau C21-ABS Fab in complex with pTau peptide
To Be Published
6GP5
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BU of 6gp5 by Molmil
Beta-1,4-galactanase from Bacteroides thetaiotaomicron
Descriptor: Arabinogalactan endo-beta-1,4-galactanase
Authors:Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L.
Deposit date:2018-06-05
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides.
J. Struct. Biol., 205, 2019
6GZE
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BU of 6gze by Molmil
Tubulin-GDP.BeF complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
Authors:Oliva, M.A, Diaz, J.F.
Deposit date:2018-07-04
Release date:2020-01-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural model for differential cap maturation at growing microtubule ends.
Elife, 9, 2020
7LO4
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BU of 7lo4 by Molmil
SARS-CoV-2 spike receptor-binding domain with a G485R mutation in complex with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Weekley, C.M, Parker, M.W.
Deposit date:2021-02-09
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:SARS-CoV-2 Spike receptor-binding domain with a G485R mutation in complex with human ACE2
Biorxiv, 2021
6HC1
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BU of 6hc1 by Molmil
Bdellovibrio bacteriovorus DgcB FHA in complex with phosphorylated N-terminal peptide
Descriptor: DgcB N-terminus, phosphorylated, GGDEF domain protein
Authors:Lovering, A.L, Meek, R.W.
Deposit date:2018-08-13
Release date:2019-08-28
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural basis for activation of a diguanylate cyclase required for bacterial predation in Bdellovibrio.
Nat Commun, 10, 2019
6HFA
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BU of 6hfa by Molmil
Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer.
Descriptor: E3 ubiquitin-protein ligase Mdm2, LM266, 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
Authors:Buratto, J, Mauran, L, Goudreau, S, Fribourg, S, Guichard, G.
Deposit date:2018-08-21
Release date:2020-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 2020
6HGU
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BU of 6hgu by Molmil
Crystal Structure of an anti-APP-tag Fab
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2018-08-23
Release date:2019-11-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
7LGD
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BU of 7lgd by Molmil
HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113
Descriptor: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-20
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
7LUN
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BU of 7lun by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with RBN011980
Descriptor: 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, CHLORIDE ION, GLYCEROL, ...
Authors:Dorsey, B.W, Swinger, K.K, Schenkel, L.B, Church, W.D, Perl, N.R, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W.
Deposit date:2021-02-22
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Targeted Degradation of PARP14 Using a Heterobifunctional Small Molecule.
Chembiochem, 22, 2021
7LGT
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BU of 7lgt by Molmil
HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83
Descriptor: BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-21
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
6HOT
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BU of 6hot by Molmil
Human protein kinase CK2 alpha in complex with ferulic aldehyde
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
7LOG
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BU of 7log by Molmil
T4 lysozyme mutant L99A in complex with 3-butylpyridine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
6I0R
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BU of 6i0r by Molmil
Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid
Descriptor: 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-10-26
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
7LXA
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BU of 7lxa by Molmil
T4 lysozyme mutant L99A
Descriptor: (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-03-03
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021

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