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8GSV
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BU of 8gsv by Molmil
Crystal structure of human BAK in complex with the Pxt1 BH3 domain
Descriptor: Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1
Authors:Lim, D, Ku, B.
Deposit date:2022-09-07
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1.
Plos Biol., 21, 2023
6LJA
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BU of 6lja by Molmil
Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
Authors:Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
Deposit date:2019-12-13
Release date:2020-12-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
7DNN
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BU of 7dnn by Molmil
Crystal structure of the AgCarB2-C2 complex with homoorientin
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one, AP_endonuc_2 domain-containing protein, AgCarC2, ...
Authors:Senda, M, Kumano, T, Watanabe, S, Kobayashi, M, Senda, T.
Deposit date:2020-12-10
Release date:2021-10-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the metabolism of xenobiotic C-glycosides by intestinal bacteria
Nat Commun, 2021
7DNM
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BU of 7dnm by Molmil
Crystal structure of the AgCarB2-C2 complex
Descriptor: AP_endonuc_2 domain-containing protein, AgCarC2, IODIDE ION, ...
Authors:Senda, M, Kumano, T, Watanabe, S, Kobayashi, M, Senda, T.
Deposit date:2020-12-10
Release date:2021-10-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the metabolism of xenobiotic C-glycosides by intestinal bacteria
Nat Commun, 2021
8E3Z
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BU of 8e3z by Molmil
Cryo-EM structure of the VPAC1R-VIP-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Piper, S.J, Danev, R, Sexton, P, Wootten, D.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
Descriptor: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-02-12
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
7OQD
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BU of 7oqd by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
Descriptor: 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2021-06-03
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
5O38
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BU of 5o38 by Molmil
Human Brd2(BD2) mutant in free form
Descriptor: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol, Bromodomain-containing protein 2, ...
Authors:Chan, K.-H, Runcie, A.C, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3C
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BU of 5o3c by Molmil
Human Brd2(BD2) mutant in complex with 9-Me
Descriptor: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
Authors:Runcie, A.C, Chan, K.-H, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
Deposit date:2020-01-29
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
6YLZ
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BU of 6ylz by Molmil
X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli
Descriptor: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ...
Authors:Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.558 Å)
Cite:Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
6YMH
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BU of 6ymh by Molmil
X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP
Descriptor: FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ...
Authors:Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A.
Deposit date:2020-04-08
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.417 Å)
Cite:Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
8E3Y
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BU of 8e3y by Molmil
Cryo-EM structure of the VPAC1R-PACAP27-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Piper, S.J, Danev, R, Sexton, P, Wootten, D.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
3MSS
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BU of 3mss by Molmil
Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, O-benzyl-N-methyl-L-tyrosinamide, Tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
8G4S
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BU of 8g4s by Molmil
40S ribosomal subunit of the 80S Giardia intestinalis assemblage A ribosome with Emetine bound in V2 conformation with mRNA and three tRNAs.
Descriptor: 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ...
Authors:Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
Deposit date:2023-02-10
Release date:2024-01-31
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
8OV6
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BU of 8ov6 by Molmil
Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ...
Authors:Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A.
Deposit date:2023-04-25
Release date:2023-05-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
4UY9
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BU of 4uy9 by Molmil
Structure of MLK1 kinase domain with leucine zipper 1
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4UYA
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BU of 4uya by Molmil
Structure of MLK4 kinase domain with ATPgammaS
Descriptor: MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4EN4
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BU of 4en4 by Molmil
Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Safo, M.K, Musayev, F.N, Gandhi, A.K.
Deposit date:2012-04-12
Release date:2012-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
7ALL
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BU of 7all by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4)
Descriptor: Arylsulfatase, CALCIUM ION, IODIDE ION, ...
Authors:Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7AN1
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BU of 7an1 by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
Descriptor: Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-10
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANB
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BU of 7anb by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ...
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-11
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANA
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BU of 7ana by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-11
Release date:2021-11-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7EXZ
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BU of 7exz by Molmil
DgpB-DgpC complex apo 2.5 angstrom
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ...
Authors:Mori, T, Senda, M, Senda, T, Abe, I.
Deposit date:2021-05-29
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
Authors:Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020

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