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6XHW
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BU of 6xhw by Molmil
Crystal structure of the A2058-unmethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.50A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
Deposit date:2020-06-19
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
8JBL
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BU of 8jbl by Molmil
Crystal structure of Na+,K+-ATPase in the E1.Mg2+ state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C.
Deposit date:2023-05-09
Release date:2023-08-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
8P3E
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BU of 8p3e by Molmil
Crystal structure of glucocerebrosidase in complex with allosteric activator
Descriptor: 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Schulze, M.-S.
Deposit date:2023-05-17
Release date:2024-03-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 19, 2024
5V1W
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BU of 5v1w by Molmil
Crystal structure of BhGH81 in complex with laminaro-biose
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2017-03-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The quaternary structure of beta-1,3-glucan contributes to its recognition and hydrolysis by a multimodular family 81 glycoside hydrolase
Structure, 2017
7R2C
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BU of 7r2c by Molmil
Crystal structure of TaCel5A Y200F variant in complex with 2-chloro-4-nitrophenyl-glucose
Descriptor: 2-chloranyl-4-nitro-phenol, EGI, SULFATE ION, ...
Authors:Dutoit, R.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of TaCel5A Y200F variant in complex with 2-chloro-4-nitrophenyl-glucose
To Be Published
6BMT
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BU of 6bmt by Molmil
Crystal Structure of a Recombinant form of Human Myeloperoxidase Bound to an Inhibitor from Staphylococcus delphini
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Ploscariu, N.T, Geisbrecht, B.V.
Deposit date:2017-11-15
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Identification and structural characterization of a novel myeloperoxidase inhibitor from Staphylococcus delphini.
Arch. Biochem. Biophys., 645, 2018
6FE5
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BU of 6fe5 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249
Descriptor: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Novakova, Z, Motlova, L.
Deposit date:2017-12-29
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
6OQ8
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BU of 6oq8 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
Descriptor: 7F, Toxin B
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6Y0H
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BU of 6y0h by Molmil
High resolution structure of GH11 xylanase from Nectria haematococca
Descriptor: Endo-1,4-beta-xylanase
Authors:Andaleeb, H, Betzel, C, Perbandt, M, Brognaro, H.
Deposit date:2020-02-07
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution crystal structure and biochemical characterization of a GH11 endoxylanase from Nectria haematococca.
Sci Rep, 10, 2020
8OQY
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BU of 8oqy by Molmil
Structure of apo form of human gamma-secretase PSEN1 APH-1B isoform reconstituted into lipid nanodisc
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Odorcic, I, Chavez Gutierrez, L, Efremov, R.G.
Deposit date:2023-04-12
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Apo and A beta 46-bound gamma-secretase structures provide insights into amyloid-beta processing by the APH-1B isoform.
Nat Commun, 15, 2024
8HQ4
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BU of 8hq4 by Molmil
B27 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Lei, Y, Sun, Q.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:B27 in complex with CRM1-Ran-RanBP1
To Be Published
7S49
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BU of 7s49 by Molmil
Crystal Structure of Inhibitor-bound Galactokinase
Descriptor: (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ...
Authors:Whitby, F.G.
Deposit date:2021-09-08
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
6XMR
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BU of 6xmr by Molmil
X-ray crystallographic structure model of Lactococcus lactis prolidase mutant H38S
Descriptor: Aminopeptidase P family protein, MANGANESE (II) ION
Authors:Xu, S, Grochulski, P, Tanaka, T.
Deposit date:2020-06-30
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships.
Biochim Biophys Acta Proteins Proteom, 1865, 2017
6XHX
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BU of 6xhx by Molmil
Crystal structure of the A2058-unmethylated Thermus thermophilus 70S ribosome in complex with erythromycin and protein Y (YfiA) at 2.55A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
Deposit date:2020-06-19
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
8KCO
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BU of 8kco by Molmil
Cryo-EM structure of human gamma-secretase in complex with RO4929097
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560
To Be Published
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
8KCS
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BU of 8kcs by Molmil
Cryo-EM structure of human gamma-secretase in complex with BMS906024
Descriptor: (2S,3R)-N'-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural Basis of gamma-secretase inhibition by anti-cancer clinical drugs
To Be Published
8KCT
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BU of 8kct by Molmil
Cryo-EM structure of human gamma-secretase in complex with Nirogacestat
Descriptor: (2S)-2-[[(2S)-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural Basis of gamma-secretase inhibition by anti-cancer clinical drugs
To Be Published
8KCU
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BU of 8kcu by Molmil
Cryo-EM structure of human gamma-secretase in complex with MK-0752
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural Basis of gamma-secretase inhibition by anti-cancer clinical drugs
To Be Published
8KCP
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BU of 8kcp by Molmil
Cryo-EM structure of human gamma-secretase in complex with Crenigacestat
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Basis of gamma-secretase inhibition by anti-cancer clinical drugs
To Be Published
6XFO
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BU of 6xfo by Molmil
Orthorhombic crystal form of Striga hermonthica Dwarf14 (ShD14)
Descriptor: ACETATE ION, D14, MAGNESIUM ION
Authors:Hamiaux, C, Snowden, K.C.
Deposit date:2020-06-15
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:To be published
To Be Published
5T4A
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BU of 5t4a by Molmil
Crystal structure of BhGH81 in complex with laminaro-hexaose
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-08-29
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
5YOX
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BU of 5yox by Molmil
HD domain-containing protein YGK1(YGL101W)
Descriptor: HD domain-containing protein YGL101W, ZINC ION
Authors:Yang, J, Wang, F, Gao, Z, Zhou, K, Liu, Q.
Deposit date:2017-10-31
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:HD domain-containing protein YGK1(YGL101W)
To Be Published
8FC1
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BU of 8fc1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and erythromycin at 2.50A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
6OBG
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BU of 6obg by Molmil
Ricin A chain bound to VHH antibody V8E6
Descriptor: CHLORIDE ION, Ricin A chain, VHH antibody V8E6, ...
Authors:Rudolph, M.J.
Deposit date:2019-03-20
Release date:2020-04-01
Last modified:2020-10-14
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020

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PDB entries from 2024-09-25

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