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6U8V
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BU of 6u8v by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA
Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
Authors:Gao, L, Zhang, Z.M, Song, J.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
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
5TZN
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BU of 5tzn by Molmil
Structure of the viral immunoevasin m12 (Smith) bound to the natural killer cell receptor NKR-P1B (B6)
Descriptor: 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, Glycoprotein family protein m12, ...
Authors:Berry, R, Rossjohn, J.
Deposit date:2016-11-22
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Viral Immunoevasin Controls Innate Immunity by Targeting the Prototypical Natural Killer Cell Receptor Family.
Cell, 169, 2017
6U8W
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BU of 6u8w by Molmil
Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA
Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
Authors:Gao, L, Zhang, Z.M, Song, J.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.94891548 Å)
Cite:Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6U9D
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BU of 6u9d by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acetolactate synthase catalytic subunit, mitochondrial, ...
Authors:Guddat, L.W, Lonhienne, T.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
6X6N
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BU of 6x6n by Molmil
NMR structure of the putative GTPase-Activating (GAP) domain of VopE
Descriptor: Outer membrane virulence protein yopE
Authors:Smith, K.P, Lee, W, Tonelli, M.
Deposit date:2020-05-28
Release date:2021-12-22
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure and dynamics of the mitochondrial-targeted GTPase-activating protein (GAP) VopE by an integrated NMR/SAXS approach.
Protein Sci., 31, 2022
6L1U
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BU of 6l1u by Molmil
Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril
Descriptor: Alpha-synuclein
Authors:Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y.
Deposit date:2019-09-30
Release date:2020-08-12
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UJQ
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BU of 6ujq by Molmil
HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206
Descriptor: Beta-2-microglobulin, MHC class I antigen, Protein-cysteine N-palmitoyltransferase HHAT
Authors:Devlin, J.R, Baker, B.M, Singh, N.K.
Deposit date:2019-10-03
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural dissimilarity from self drives neoepitope escape from immune tolerance.
Nat.Chem.Biol., 16, 2020
6Y23
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BU of 6y23 by Molmil
DDR1 kinase autoinhibited by its juxtamembrane region
Descriptor: Epithelial discoidin domain-containing receptor 1, SULFATE ION
Authors:Sammon, D, Hohenester, E, Leitinger, B.
Deposit date:2020-02-14
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Two-step release of kinase autoinhibition in discoidin domain receptor 1.
Proc.Natl.Acad.Sci.USA, 117, 2020
7VOK
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BU of 7vok by Molmil
The Crystal structure of EF-Tu and GDP from Mycobacterium tuberculosis
Descriptor: Elongation factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Zhan, B.W, Li, J.X.
Deposit date:2021-10-14
Release date:2022-10-19
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights of the elongation factor EF-Tu complexes in protein translation of Mycobacterium tuberculosis.
Commun Biol, 5, 2022
7KMY
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BU of 7kmy by Molmil
Structure of Mtb Lpd bound to 010705
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lima, C.D.
Deposit date:2020-11-03
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions.
Acs Infect Dis., 7, 2021
6F4M
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BU of 6f4m by Molmil
Human JMJD5 in its apo form.
Descriptor: JmjC domain-containing protein 5
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4T
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BU of 6f4t by Molmil
Human JMJD5 (W414C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-5)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, JmjC domain-containing protein 5, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-30
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6TXE
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BU of 6txe by Molmil
Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
Deposit date:2020-01-14
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6TXA
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BU of 6txa by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A.
Deposit date:2020-01-13
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
5U1Z
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BU of 5u1z by Molmil
X-ray structure of the WlarG aminotransferase, apo form, from Campylobacter jejune
Descriptor: CHLORIDE ION, Putative aminotransferase, SODIUM ION
Authors:Holden, H.M, Thoden, J.B, Dow, G.T, Gilbert, M.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
6L8Q
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BU of 6l8q by Molmil
Complex structure of bat CD26 and MERS-RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Yuan, Y.
Deposit date:2019-11-07
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular Basis of Binding between Middle East Respiratory Syndrome Coronavirus and CD26 from Seven Bat Species.
J.Virol., 94, 2020
6UT9
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BU of 6ut9 by Molmil
Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265
Descriptor: Outer capsid protein VP4
Authors:Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A.
Deposit date:2019-10-29
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
6F4N
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BU of 6f4n by Molmil
Human JMJD5 in complex with MN and 2OG.
Descriptor: 2-OXOGLUTARIC ACID, JmjC domain-containing protein 5, MANGANESE (II) ION
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6VH7
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BU of 6vh7 by Molmil
Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
6V0V
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BU of 6v0v by Molmil
Cryo-EM structure of mouse WT RAG1/2 NFC complex (DNA0)
Descriptor: CALCIUM ION, DNA (30-MER), V(D)J recombination-activating protein 1, ...
Authors:Chen, X, Yang, W, Gellert, M.
Deposit date:2019-11-19
Release date:2020-01-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
5U20
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BU of 5u20 by Molmil
X-ray structure of the WlaRG aminotransferase from Campylobacter jejuni, internal PLP-aldimine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative aminotransferase, ...
Authors:Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
6YCF
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BU of 6ycf by Molmil
Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6F4S
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BU of 6f4s by Molmil
Human JMJD5 (N308C) in complex with Mn(II), 2OG and RCCD1 (139-143) (complex-4)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, GLYCEROL, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-30
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
5UGG
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BU of 5ugg by Molmil
Protease Inhibitor
Descriptor: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen
Authors:Law, R.H.P, Wu, G, Whisstock, J.C.
Deposit date:2017-01-08
Release date:2017-05-31
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017

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