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4W4S
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BU of 4w4s by Molmil
Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629
Descriptor: Uncharacterized protein blr2150, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
Authors:Liu, W, Zheng, Y, Huang, C.H, Guo, R.T.
Deposit date:2014-08-15
Release date:2015-01-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4W4R
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BU of 4w4r by Molmil
Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum
Descriptor: Uncharacterized protein blr2150
Authors:Liu, W, Zheng, Y, Huang, C.H, Ko, T.P, Guo, R.T.
Deposit date:2014-08-15
Release date:2015-01-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
2MK5
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BU of 2mk5 by Molmil
Solution structure of a protein domain
Descriptor: Endolysin
Authors:Feng, Y, Gu, J.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2019-12-18
Method:SOLUTION NMR
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4DTK
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BU of 4dtk by Molmil
Novel and selective pan-PIM kinase inhibitor
Descriptor: (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2012-02-21
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
5KES
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BU of 5kes by Molmil
Solution structure of the yeast Ddi1 HDD domain
Descriptor: DNA damage-inducible protein 1
Authors:Trempe, J.-F, Ratcliffe, C, Veverka, V, Saskova, K, Gehring, K.
Deposit date:2016-06-10
Release date:2016-10-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family.
Sci Rep, 6, 2016
6NZU
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BU of 6nzu by Molmil
Structure of the human frataxin-bound iron-sulfur cluster assembly complex
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W.
Deposit date:2019-02-14
Release date:2019-05-22
Last modified:2019-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism.
Nat Commun, 10, 2019
8D6Y
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BU of 8d6y by Molmil
Structure of the Mycobacterium tuberculosis 20S proteasome bound to the ADP-bound Mpa ATPase
Descriptor: AAA ATPase forming ring-shaped complexes, Proteasome subunit alpha, Proteasome subunit beta, ...
Authors:Xiao, X, Li, H.
Deposit date:2022-06-06
Release date:2022-08-03
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (10 Å)
Cite:The beta-Grasp Domain of Proteasomal ATPase Mpa Makes Critical Contacts with the Mycobacterium tuberculosis 20S Core Particle to Facilitate Degradation.
Msphere, 7, 2022
8D6X
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BU of 8d6x by Molmil
Structure of the Mycobacterium tuberculosis 20S proteasome bound to the ATP-bound Mpa ATPase
Descriptor: AAA ATPase forming ring-shaped complexes, Proteasome subunit alpha, Proteasome subunit beta, ...
Authors:Xiao, X, Li, H.
Deposit date:2022-06-06
Release date:2022-08-03
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The beta-Grasp Domain of Proteasomal ATPase Mpa Makes Critical Contacts with the Mycobacterium tuberculosis 20S Core Particle to Facilitate Degradation.
Msphere, 7, 2022
8D6W
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BU of 8d6w by Molmil
Structure of the Mycobacterium tuberculosis 20S proteasome bound to the C-terminal GQYL motif of the ADP-bound Mpa ATPase
Descriptor: Proteasome subunit alpha, Proteasome subunit beta, Proteasome-associated ATPase
Authors:Xiao, X, Li, H.
Deposit date:2022-06-06
Release date:2022-08-03
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The beta-Grasp Domain of Proteasomal ATPase Mpa Makes Critical Contacts with the Mycobacterium tuberculosis 20S Core Particle to Facilitate Degradation.
Msphere, 7, 2022
8D6V
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BU of 8d6v by Molmil
Structure of the Mycobacterium tuberculosis 20S proteasome bound to the C-terminal GQYL motif of the ATP-bound Mpa ATPase
Descriptor: Proteasome subunit alpha, Proteasome subunit beta, Proteasome-associated ATPase
Authors:Xiao, X, Li, H.
Deposit date:2022-06-06
Release date:2022-08-03
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The beta-Grasp Domain of Proteasomal ATPase Mpa Makes Critical Contacts with the Mycobacterium tuberculosis 20S Core Particle to Facilitate Degradation.
Msphere, 7, 2022
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
Descriptor: Endolysin, FE (III) ION, MAGNESIUM ION, ...
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4MY5
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BU of 4my5 by Molmil
Crystal structure of the aromatic amino acid aminotransferase from Streptococcus mutants
Descriptor: Putative amino acid aminotransferase
Authors:Cong, X, Li, X, Ge, J, Feng, Y, Feng, X, Li, S.
Deposit date:2013-09-27
Release date:2014-10-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of the aromatic-amino-acid aminotransferase from Streptococcus mutans.
Acta Crystallogr.,Sect.F, 75, 2019
4COO
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BU of 4coo by Molmil
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ...
Authors:McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-01-29
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
4DL1
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BU of 4dl1 by Molmil
Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Vajdos, F, Varghese, A.
Deposit date:2012-02-05
Release date:2012-03-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)).
Biochemistry, 51, 2012
4WVD
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BU of 4wvd by Molmil
Identification of a novel FXR ligand that regulates metabolism
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ...
Authors:Wang, R, Li, Y.
Deposit date:2014-11-05
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
4XLY
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BU of 4xly by Molmil
The complex structure of KS-D75C with substrate CPP
Descriptor: (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150
Authors:Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T.
Deposit date:2015-01-14
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4XLX
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BU of 4xlx by Molmil
Crystal structure of BjKS from Bradyrhizobium japonicum
Descriptor: Uncharacterized protein blr2150
Authors:Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T.
Deposit date:2015-01-14
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
7S05
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BU of 7s05 by Molmil
Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Li, H, Li, H.
Deposit date:2021-08-30
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
7S06
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BU of 7s06 by Molmil
Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosamine-1-phosphotransferase subunits alpha/beta
Authors:Li, H, Li, H.
Deposit date:2021-08-30
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
5HHV
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BU of 5hhv by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
5HHX
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BU of 5hhx by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
8WC8
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BU of 8wc8 by Molmil
Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex
Descriptor: 2-(4-bromophenyl)ethanamine, 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:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC9
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BU of 8wc9 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex
Descriptor: 2-(4-bromophenyl)ethanamine, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WCC
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BU of 8wcc by Molmil
Cryo-EM structure of the CHA-bound mTAAR1 complex
Descriptor: CYCLOHEXYLAMMONIUM ION, Trace amine-associated receptor 1
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023

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