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7S9M
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Crystal Structure of DNA Polymerase Beta with Ring open intermediate Fapy-dG base-paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(IFP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
7AAQ
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sugar/H+ symporter STP10 in outward occluded conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
Authors:Bavnhoej, L, Paulsen, P.A, Pedersen, B.P.
Deposit date:2020-09-04
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
7S9J
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Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dC
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
8SKW
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BU of 8skw by Molmil
MicroED structure of d(CGCGCG)2 Z-DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Haymaker, A, Bardin, A.A, Martynowycz, M.W, Nannenga, B.L.
Deposit date:2023-04-20
Release date:2023-08-16
Last modified:2023-12-20
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Structure determination of a DNA crystal by MicroED.
Structure, 31, 2023
7S9P
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BU of 7s9p by Molmil
Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dCTP analog
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J, Smith, M.R.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
6U5Y
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BU of 6u5y by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-28
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
7NL4
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BU of 7nl4 by Molmil
OsNIP2;1 silicon transporter from rice
Descriptor: Aquaporin NIP2-1, CADMIUM ION
Authors:van den Berg, B.
Deposit date:2021-02-22
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Silicic Acid Uptake by Higher Plants.
J.Mol.Biol., 433, 2021
7S9K
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BU of 7s9k by Molmil
Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
7S9Q
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BU of 7s9q by Molmil
Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dATP analog
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J, Smith, M.R.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
8P8T
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BU of 8p8t by Molmil
Ex vivo Ym2 crystal structure
Descriptor: Chitinase-like protein 4, GLYCEROL
Authors:Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
5HQN
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BU of 5hqn by Molmil
Catalytic domain of murine Acid Sphingomyelinase (ASMase, ASM, SMPD1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2016-01-21
Release date:2016-07-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
7S9L
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BU of 7s9l by Molmil
Crystal Structure of DNA Polymerase Beta with Ring open intermediate Fapy-dG base-paired with a dC
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
6XQZ
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BU of 6xqz by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ...
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
4WLE
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BU of 4wle by Molmil
Crystal structure of citrate bound MDH2
Descriptor: CITRIC ACID, Malate dehydrogenase, mitochondrial
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-07
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of citrate bound MDH2
To Be Published
8P8Q
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BU of 8p8q by Molmil
Recombinant Ym1 crystal structure
Descriptor: ACETATE ION, Chitinase-like protein 3, GLYCEROL
Authors:Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Aegerter, H, Smole, U, Savvides, S.N, Lambrecht, B.N.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
8P8S
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BU of 8p8s by Molmil
Recombinant Ym2 crystal structure
Descriptor: 1,2-ETHANEDIOL, Chitinase-like protein 4
Authors:Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
7S9O
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BU of 7s9o by Molmil
Binary complex of DNA Polymerase Beta with Ring open Intermediate Fapy-dG in the template position
Descriptor: DNA (5'-D(*CP*CP*GP*AP*C*(IFP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A*(SO4))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Freudenthal, B.D, Ryan, B.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
8P8R
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BU of 8p8r by Molmil
Ex vivo Ym1 crystal structure
Descriptor: 1,2-ETHANEDIOL, Chitinase-like protein 3
Authors:Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
8SMU
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BU of 8smu by Molmil
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
Descriptor: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2023-04-26
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
6XSP
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BU of 6xsp by Molmil
Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-15
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7S0J
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BU of 7s0j by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 769B10
Descriptor: 769B10 Fab Heavy chain, 769B10 Fab Light chain, GLYCEROL
Authors:Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
8SE6
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BU of 8se6 by Molmil
NKG2D complexed with inhibitor 36
Descriptor: N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ...
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2023-04-08
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
5KNM
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BU of 5knm by Molmil
Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Leukocyte immunoglobulin-like receptor subfamily B member 1, ...
Authors:Dulberger, C.L, Adams, E.J.
Deposit date:2016-06-28
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Human Leukocyte Antigen F Presents Peptides and Regulates Immunity through Interactions with NK Cell Receptors.
Immunity, 46, 2017
5DYW
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BU of 5dyw by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
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:Coquelle, N, Brus, B, Colletier, J.P.
Deposit date:2015-09-25
Release date:2017-01-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
6OC7
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BU of 6oc7 by Molmil
HMP42 Fab in complex with Protein G
Descriptor: Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2019-03-22
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019

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