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PDB: 550 results

7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-03-18
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
4EWA
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BU of 4ewa by Molmil
Study on structure and function relationships in human Pirin with Fe ion
Descriptor: FE (III) ION, Pirin
Authors:Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A.
Deposit date:2012-04-26
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
8BN1
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BU of 8bn1 by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
Descriptor: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ...
Authors:Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
Deposit date:2022-11-11
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
8BYJ
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BU of 8byj by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
Descriptor: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA, Processed angiotensin-converting enzyme 2, ...
Authors:Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
Deposit date:2022-12-13
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
8BFW
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BU of 8bfw by Molmil
The structures of Ace2 in complex with bicyclic peptide inhibitor
Descriptor: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2
Authors:Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M.
Deposit date:2022-10-27
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
3KOV
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BU of 3kov by Molmil
Structure of MEF2A bound to DNA reveals a completely folded MADS-box/MEF2 domain that recognizes DNA and recruits transcription co-factors
Descriptor: DNA (5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte-specific enhancer factor 2A
Authors:Wu, Y, Dey, R, Han, A, Jayathilaka, N, Philips, M, Ye, J, Chen, L.
Deposit date:2009-11-14
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the MADS-box/MEF2 Domain of MEF2A Bound to DNA and Its Implication for Myocardin Recruitment.
J.Mol.Biol., 397, 2010
8VY8
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BU of 8vy8 by Molmil
Recombinant alpha bungarotoxin complexed with HAP peptide
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-bungarotoxin isoform V31, HAP peptide
Authors:Xu, J, Lei, X, Chen, L.
Deposit date:2024-02-07
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of recombinant alpha bungarotoxin complexed with HAP peptide at 2.4 Angstroms resolution.
To Be Published
1G0H
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BU of 1g0h by Molmil
CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, INOSITOL MONOPHOSPHATASE
Authors:Johnson, K.A, Chen, L, Yang, H, Roberts, M.F, Stec, B.
Deposit date:2000-10-06
Release date:2001-03-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and catalytic mechanism of the MJ0109 gene product: a bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities.
Biochemistry, 40, 2001
1G0I
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BU of 1g0i by Molmil
CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, INOSITOL MONOPHOSPHATASE, MANGANESE (II) ION, ...
Authors:Johnson, K.A, Chen, L, Yang, H, Roberts, M.F, Stec, B.
Deposit date:2000-10-06
Release date:2001-03-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and catalytic mechanism of the MJ0109 gene product: a bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities.
Biochemistry, 40, 2001
4U5J
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BU of 4u5j by Molmil
C-Src in complex with Ruxolitinib
Descriptor: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Proto-oncogene tyrosine-protein kinase Src
Authors:Chen, Y, Duan, Y, Chen, L.
Deposit date:2014-07-25
Release date:2014-09-17
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:c-Src Binds to the Cancer Drug Ruxolitinib with an Active Conformation
Plos One, 9, 2014
5X07
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BU of 5x07 by Molmil
Crystal structure of FOXA2 DNA binding domain bound to a full consensus DNA site
Descriptor: DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Hepatocyte nuclear factor 3-beta
Authors:Li, J, Guo, M, Zhou, Z, Jiang, L, Chen, X, Qu, L, Wu, D, Chen, Z, Chen, L, Chen, Y.
Deposit date:2017-01-20
Release date:2017-08-16
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure of the Forkhead Domain of FOXA2 Bound to a Complete DNA Consensus Site
Biochemistry, 56, 2017
5JKG
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BU of 5jkg by Molmil
The crystal structure of FGFR4 kinase domain in complex with LY2874455
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, L, Chen, Y.
Deposit date:2016-04-26
Release date:2016-10-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455
Plos One, 11, 2016
4ERG
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BU of 4erg by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, FE (III) ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
4ERI
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BU of 4eri by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0006 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
4ERA
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BU of 4era by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
4EPK
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BU of 4epk by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-17
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6009 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
6LR0
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BU of 6lr0 by Molmil
structure of human bile salt exporter ABCB11
Descriptor: Bile salt export pump
Authors:Wang, L, Hou, W.T, Chen, L, Jiang, Y.L, Xu, D, Sun, L.F, Zhou, C.Z, Chen, Y.
Deposit date:2020-01-15
Release date:2020-04-15
Last modified:2023-01-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of human bile salts exporter ABCB11.
Cell Res., 30, 2020
3VTR
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BU of 3vtr by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
Authors:Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q.
Deposit date:2012-06-02
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase
Plos One, 7, 2012
294D
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BU of 294d by Molmil
INTERCALATED CYTOSINE MOTIF AND NOVEL ADENINE CLUSTERS IN THE CRYSTAL STRUCTURE OF TETRAHYMENA TELOMERE
Descriptor: DNA (5'-D(*AP*AP*CP*CP*CP*C)-3')
Authors:Cai, L, Chen, L, Raghavan, S, Ratliff, R, Moyzis, R, Rich, A.
Deposit date:1996-10-30
Release date:1998-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intercalated cytosine motif and novel adenine clusters in the crystal structure of the Tetrahymena telomere.
Nucleic Acids Res., 26, 1998
9BKT
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BU of 9bkt by Molmil
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD
Descriptor: FE (II) ION, Rubredoxin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-29
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD
To Be Published
7YSW
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BU of 7ysw by Molmil
Cryo-EM Structure of FGF23-FGFR4-aKlotho-HS Quaternary Complex
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ...
Authors:Mohammadi, M, Chen, L.
Deposit date:2022-08-13
Release date:2023-06-14
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural basis for FGF hormone signalling.
Nature, 618, 2023
9BKF
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BU of 9bkf by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
Descriptor: Serine protease 1
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
To Be Published
9BKP
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BU of 9bkp by Molmil
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
Descriptor: FE (III) ION, Rubredoxin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-29
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
To Be Published
9BKL
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BU of 9bkl by Molmil
Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
Descriptor: COBALT (II) ION, Rubredoxin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-29
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
To Be Published
9BKG
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BU of 9bkg by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
Descriptor: Serine protease 1
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
To Be Published

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