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8EWG
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BU of 8ewg by Molmil
Cryo-EM structure of a riboendonclease
Descriptor: CRISPR-associated endonuclease Cas9, RNA (56-MER)
Authors:Li, Z, Wang, F.
Deposit date:2022-10-23
Release date:2023-08-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural Basis for the Ribonuclease Activity of a Thermostable CRISPR-Cas13a from Thermoclostridium caenicola.
J.Mol.Biol., 435, 2023
4FLP
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BU of 4flp by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain testis-specific protein, POTASSIUM ION
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Canning, P, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bradner, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-06-15
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Small-Molecule Inhibition of BRDT for Male Contraception.
Cell(Cambridge,Mass.), 150, 2012
7CWQ
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BU of 7cwq by Molmil
Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
Descriptor: DLH domain-containing protein, SULFATE ION
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-08-30
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
7CY0
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BU of 7cy0 by Molmil
Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis
Descriptor: ACETIC ACID, Poly(ethylene terephthalate) hydrolase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-09-03
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
1B8J
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BU of 1b8j by Molmil
ALKALINE PHOSPHATASE COMPLEXED WITH VANADATE
Descriptor: MAGNESIUM ION, PROTEIN (ALKALINE PHOSPHATASE), SULFATE ION, ...
Authors:Holtz, K.M, Stec, B, Kantrowitz, E.R.
Deposit date:1999-02-01
Release date:1999-02-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A model of the transition state in the alkaline phosphatase reaction.
J.Biol.Chem., 274, 1999
3UIV
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BU of 3uiv by Molmil
Human serum albumin-myristate-amantadine hydrochloride complex
Descriptor: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, MYRISTIC ACID, Serum albumin
Authors:Yang, F, Ma, Z, Ma, L, Yang, G.
Deposit date:2011-11-06
Release date:2012-11-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of the drug-binding specificity of human serum albumin
TO BE PUBLISHED
4L53
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BU of 4l53 by Molmil
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
5WP2
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BU of 5wp2 by Molmil
1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ...
Authors:Fielding, A, Dornevil, K, Liu, A.
Deposit date:2017-08-03
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
3RK1
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BU of 3rk1 by Molmil
'X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with ATP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, N-type ATP pyrophosphatase superfamily, PHOSPHATE ION
Authors:Forouhar, F, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-16
Release date:2011-05-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
Descriptor: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
3RK0
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BU of 3rk0 by Molmil
X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with AMP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23
Descriptor: ADENOSINE MONOPHOSPHATE, N-type ATP pyrophosphatase superfamily
Authors:Forouhar, F, Saadat, N, Hussain, M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-16
Release date:2011-05-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
4XNV
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BU of 4xnv by Molmil
The human P2Y1 receptor in complex with BPTU
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
Authors:Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
Deposit date:2015-01-16
Release date:2015-04-01
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
6F4U
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BU of 6f4u by Molmil
Crystal structure of reactive loop cleaved kallistatin at 1.9 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Zhou, A, Wei, Z, Lin, F.
Deposit date:2017-11-30
Release date:2018-12-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human Kallistatin
To Be Published
4YOC
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BU of 4yoc by Molmil
Crystal Structure of human DNMT1 and USP7/HAUSP complex
Descriptor: DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Cheng, J, Yang, H, Fang, J, Gong, R, Wang, P, Li, Z, Xu, Y.
Deposit date:2015-03-11
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.916 Å)
Cite:Molecular mechanism for USP7-mediated DNMT1 stabilization by acetylation.
Nat Commun, 6, 2015
4ZT9
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BU of 4zt9 by Molmil
Nuclease-inactive Streptococcus pyogenes Cas9 (D10A/H840A, dCas9) in complex with single-guide RNA at 3.1 Angstrom resolution
Descriptor: CRISPR-associated endonuclease Cas9, single-guide RNA
Authors:Jiang, F, Doudna, J.A.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Cas9-guide RNA complex preorganized for target DNA recognition.
Science, 348, 2015
4ZT0
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BU of 4zt0 by Molmil
Crystal structure of catalytically-active Streptococcus pyogenes Cas9 in complex with single-guide RNA at 2.9 Angstrom resolution
Descriptor: CRISPR-associated endonuclease Cas9, single-guide RNA
Authors:Jiang, F, Doudna, J.A.
Deposit date:2015-05-14
Release date:2015-07-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Cas9-guide RNA complex preorganized for target DNA recognition.
Science, 348, 2015
6A59
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BU of 6a59 by Molmil
Structure of histone demethylase REF6 at 1.8A
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
4Y2I
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BU of 4y2i by Molmil
Gold ion bound to GolB
Descriptor: GOLD ION, Putative metal-binding transport protein
Authors:Wei, W, Wang, F, Ma, L, Zhao, J.
Deposit date:2015-02-10
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
4Y2K
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BU of 4y2k by Molmil
reduced form of apo-GolB
Descriptor: Putative metal-binding transport protein
Authors:Wei, W, Wang, F, Ma, L, Zhao, J.
Deposit date:2015-02-10
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
7VGG
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BU of 7vgg by Molmil
Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1
Descriptor: E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P.
Deposit date:2021-09-16
Release date:2022-05-04
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into UV-B-activated UVR8 bound to COP1.
Sci Adv, 8, 2022
6CDY
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BU of 6cdy by Molmil
Crystal structure of TEAD complexed with its inhibitor
Descriptor: 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4
Authors:LIU, S, HAN, X, LUO, X.
Deposit date:2018-02-09
Release date:2020-07-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription.
Cell Stem Cell, 26, 2020
6CUC
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BU of 6cuc by Molmil
Solution structure of double knot toxin (DkTx)
Descriptor: Tau-theraphotoxin-Hs1a
Authors:Ramanujam, V, Mobli, M.
Deposit date:2018-03-25
Release date:2019-03-27
Last modified:2024-04-24
Method:SOLUTION NMR
Cite:Structural Basis of the Bivalency of the TRPV1 Agonist DkTx.
Angew.Chem.Int.Ed.Engl., 63, 2024
7WCN
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BU of 7wcn by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453
Descriptor: Glucose-dependent insulinotropic receptor, 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:Qiao, A.N, Wu, S, Ye, S.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
7WCM
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BU of 7wcm by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist MBX-2982
Descriptor: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qiao, A.N, Wu, S, Ye, S.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022

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