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6IV9
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BU of 6iv9 by Molmil
the Cas13d binary complex
Descriptor: Cas13d, MAGNESIUM ION, crRNA (50-MER)
Authors:Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
Deposit date:2018-12-02
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
6EON
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BU of 6eon by Molmil
Galactanase BT0290
Descriptor: Beta-galactosidase, CALCIUM ION, alpha-D-galactopyranose
Authors:Basle, A, Munoz, J, Gilbert, H.
Deposit date:2017-10-10
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
Authors:Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
8PGZ
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BU of 8pgz by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3528
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3528
To Be Published
6EA6
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BU of 6ea6 by Molmil
Structure of VACV poxin 2'3' cGAMP-specific nuclease
Descriptor: Protein B2
Authors:Eaglesham, J.B, Kranzusch, P.J.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Viral and metazoan poxins are cGAMP-specific nucleases that restrict cGAS-STING signalling.
Nature, 566, 2019
6XQG
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BU of 6xqg by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
Descriptor: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Liberato, M.V, Squina, F.
Deposit date:2020-07-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6EAD
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BU of 6ead by Molmil
CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT F140I STABILIZED IN THE PREFUSION STATE
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S.
Deposit date:2018-08-03
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance
To be published
8PMF
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BU of 8pmf by Molmil
transcription factor BARHL2 bound to DNA sequences
Descriptor: BarH-like 2 homeobox protein, DNA
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2023-06-28
Release date:2024-07-10
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:transcription factor BARHL2 bound to DNA sequences
To Be Published
7ZEU
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BU of 7zeu by Molmil
Crystal structure of human Clusterin, crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin
Authors:Yuste-Checa, P, Bracher, A, Hartl, F.U.
Deposit date:2022-03-31
Release date:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of human Clusterin, crystal form II
To be published
7K9P
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BU of 7k9p by Molmil
Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX.
Descriptor: CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P.
Deposit date:2020-09-29
Release date:2020-10-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
5EK9
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BU of 5ek9 by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor
Descriptor: Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-11-03
Release date:2016-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
8PKS
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BU of 8pks by Molmil
Low resolution crystal structure of Keap1-456, a repeat fragment from the human Keap1 beta-propeller
Descriptor: Kelch-like ECH-associated protein 1
Authors:Wouters, S.M.L.
Deposit date:2023-06-27
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based assembly of a symmetric protein scaffold
To Be Published
6EOU
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BU of 6eou by Molmil
O-GlcNAc transferase TPR domain with the intellectual disability associated mutation L254F
Descriptor: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Gundogdu, M, van Aalten, D.M.F.
Deposit date:2017-10-10
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The O-GlcNAc Transferase Intellectual Disability Mutation L254F Distorts the TPR Helix.
Cell Chem Biol, 25, 2018
6XAB
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BU of 6xab by Molmil
Structure of the acetate-bound form of ArrX from Chrysiogenes arsenatis
Descriptor: ACETATE ION, ArrX
Authors:Maher, M.J, Poddar, N.
Deposit date:2020-06-04
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:Structural and Functional Investigation of the Periplasmic Arsenate-Binding Protein ArrX from Chrysiogenes arsenatis .
Biochemistry, 60, 2021
8PMN
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BU of 8pmn by Molmil
transcription factor BARHL2 bound to DNA sequences
Descriptor: BarH-like 2 homeobox protein, DNA
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:transcription factor BARHL2 bound to DNA sequences
To Be Published
6XY3
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BU of 6xy3 by Molmil
2.0 Angstrom crystal structure of Ca/CaM N53I:RyR2 peptide complex
Descriptor: CALCIUM ION, Calmodulin-1, RyR2 peptide
Authors:Antonyuk, S, Helassa, N.
Deposit date:2020-01-29
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:CPVT-associated calmodulin variants N53I and A102V dysregulate Ca2+ signalling via different mechanisms.
J.Cell.Sci., 135, 2022
6EAF
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BU of 6eaf by Molmil
CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT G143S STABILIZED IN THE PREFUSION STATE
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S.
Deposit date:2018-08-03
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance
To be published
7K9V
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BU of 7k9v by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452
Descriptor: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2020-09-29
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
6IV3
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BU of 6iv3 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation W252A
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-02
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.515 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6PJA
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BU of 6pja by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-28
Release date:2019-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
8PRM
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BU of 8prm by Molmil
The structure of nvBagel2 binding the P8W48O184 polyoxometalate
Descriptor: Cell surface protein, P8W48O184 polyoxometalate
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of v13Bagel2
To Be Published
6XAD
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BU of 6xad by Molmil
Structure of the formate-bound form of ArrX from Chrysiogenes arsenatis
Descriptor: ArrX, FORMIC ACID
Authors:Maher, M.J, Poddar, N.
Deposit date:2020-06-04
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structural and Functional Investigation of the Periplasmic Arsenate-Binding Protein ArrX from Chrysiogenes arsenatis .
Biochemistry, 60, 2021
8PRI
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BU of 8pri by Molmil
The structure of nvBagel9
Descriptor: Cell surface protein
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of v13Bagel2
To Be Published
6EB6
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BU of 6eb6 by Molmil
Crystal structure of BAX W139A monomer
Descriptor: Apoptosis regulator BAX, FORMIC ACID
Authors:Robin, A.Y.
Deposit date:2018-08-05
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:BAX Activation: Mutations Near Its Proposed Non-canonical BH3 Binding Site Reveal Allosteric Changes Controlling Mitochondrial Association.
Cell Rep, 27, 2019
6AXO
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BU of 6axo by Molmil
F96S Epi-isozizaene synthase
Descriptor: Epi-isozizaene synthase
Authors:Blank, P.N, Barrow, G.H, Christianson, D.W.
Deposit date:2017-09-07
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017

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PDB entries from 2024-08-28

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