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6B6V
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Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 1), canonical C-cluster
Descriptor: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
5Y8Q
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ZsYellow at pH 8.0
Descriptor: GFP-like fluorescent chromoprotein FP538
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-21
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221.
Biochem. Biophys. Res. Commun., 493, 2017
7VSO
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Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with HAD16 Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
Descriptor: 2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, ...
Authors:Mizohata, E, Nakane, T, Hanashima, S.
Deposit date:2021-10-27
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Heavy Atom Detergent/Lipid Combined X-ray Crystallography for Elucidating the Structure-Function Relationships of Membrane Proteins.
Membranes (Basel), 11, 2021
7M6T
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BU of 7m6t by Molmil
Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding
Descriptor: Elongin-B, Elongin-C, Non-canonical peptide F3, ...
Authors:Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E.
Deposit date:2021-03-26
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands.
Nat Commun, 12, 2021
5EZV
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BU of 5ezv by Molmil
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Descriptor: 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2/alpha-1 RIM SWAP chimera, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Langendorf, C.G, Kemp, B.E.
Deposit date:2015-11-26
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
1M38
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BU of 1m38 by Molmil
Structure of Inorganic Pyrophosphatase
Descriptor: COBALT (II) ION, INORGANIC PYROPHOSPHATASE, PHOSPHATE ION
Authors:Kuranova, I.P, Polyakov, K.M, Levdikov, V.M, Smirnova, E.A, Hohne, W.E, Lamzin, V.S, Meijers, R.
Deposit date:2002-06-27
Release date:2003-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of Saccharomyces cerevisiae inorganic pyrophosphatase complexed with cobalt and phosphate ions
CRYSTALLOGRAPHY REPORTS, 48, 2003
3N4O
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BU of 3n4o by Molmil
Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3'
Authors:Takenaka, A, Juan, E.C.M, Shimizu, S.
Deposit date:2010-05-22
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one.
Nucleic Acids Res., 2010
8KFH
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BU of 8kfh by Molmil
Crystal structure of sperm whale myoglobin reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
6RQF
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BU of 6rqf by Molmil
3.6 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Spinacia oleracea with natively bound thylakoid lipids and plastoquinone molecules
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Malone, L.A, Qian, P, Mayneord, G.E, Hitchcock, A, Farmer, D, Thompson, R, Swainsbury, D.J.K, Ranson, N, Hunter, C.N, Johnson, M.P.
Deposit date:2019-05-15
Release date:2019-11-13
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structure of the spinach cytochrome b6f complex at 3.6 angstrom resolution.
Nature, 575, 2019
8KFJ
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BU of 8kfj by Molmil
Crystal structure of sperm whale myoglobin (F46L/H64A mutant) reconstituted with manganese porphycene
Descriptor: CHLORIDE ION, Myoglobin, PORPHYCENE CONTAINING MN, ...
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
8KFI
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BU of 8kfi by Molmil
Crystal structure of sperm whale myoglobin (F43A/H64I mutant) reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
1S84
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BU of 1s84 by Molmil
PORCINE TRYPSIN COVALENT COMPLEX WITH 4-AMINO BUTANOL, BORATE AND ETHYLENE GLYCOL
Descriptor: 1,2-ETHANEDIOL, 4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM, CALCIUM ION, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E.
Deposit date:2004-01-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
3IL8
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BU of 3il8 by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN 8: SYMBIOSIS OF NMR AND CRYSTALLOGRAPHY
Descriptor: INTERLEUKIN-8
Authors:Baldwin, E.T, Weber, I.T, St Charles, R, Xuan, J.-C, Appella, E, Yamada, M, Matsushima, K, Edwards, B.F.P, Clore, G.M, Gronenborn, A.M, Wlodawer, A.
Deposit date:1990-12-07
Release date:1992-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of interleukin 8: symbiosis of NMR and crystallography.
Proc.Natl.Acad.Sci.USA, 88, 1991
1KKQ
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BU of 1kkq by Molmil
Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif
Descriptor: N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
Authors:Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J.
Deposit date:2001-12-10
Release date:2002-02-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
8OIV
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BU of 8oiv by Molmil
Monkeypox virus VP39 in complex with SAH and cap0
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E.
Deposit date:2023-03-23
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39.
Antiviral Res., 216, 2023
7V35
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BU of 7v35 by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex
Descriptor: Glucagon 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:Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-10
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
4LF4
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BU of 4lf4 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, MAGNESIUM ION, ...
Authors:Demirci, H, Belardinelli, R, Carr, J, Murphy IV, F, Jogl, G, Dahlberg, A.E, Gregory, S.T.
Deposit date:2013-06-26
Release date:2014-07-02
Method:X-RAY DIFFRACTION (3.3421 Å)
Cite:Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
To be Published, 2013
7VAB
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BU of 7vab by Molmil
Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-28
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7MK7
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BU of 7mk7 by Molmil
Augmentor domain of augmentor-beta
Descriptor: ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J.
Deposit date:2021-04-21
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42815185 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
5KK2
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BU of 5kk2 by Molmil
Architecture of fully occupied GluA2 AMPA receptor - TARP complex elucidated by single particle cryo-electron microscopy
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Zhao, Y, Chen, S, Yoshioka, C, Baconguis, I, Gouaux, E.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Architecture of fully occupied GluA2 AMPA receptor-TARP complex elucidated by cryo-EM.
Nature, 536, 2016
2HJH
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BU of 2hjh by Molmil
Crystal Structure of the Sir2 deacetylase
Descriptor: (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, NAD-dependent histone deacetylase SIR2, NICOTINAMIDE, ...
Authors:Hall, B.E, Ellenberger, T.E.
Deposit date:2006-06-30
Release date:2008-04-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Autoregulation of the yeast Sir2 deacetylase by reaction and trapping of a pseudosubstrate motif in the active site
To be Published
1C50
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BU of 1c50 by Molmil
IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B
Descriptor: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N.
Deposit date:1999-12-15
Release date:1999-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A new allosteric site in glycogen phosphorylase b as a target for drug interactions.
Structure Fold.Des., 8, 2000
7VBI
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BU of 7vbi by Molmil
Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 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:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-31
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
8P4I
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BU of 8p4i by Molmil
Cyanide dihydratase from Bacillus pumilus C1
Descriptor: Cyanide dihydratase
Authors:Mulelu, A.E, Reitz, J, van Rooyen, J.M, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T.
Deposit date:2023-05-22
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
1HE8
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BU of 1he8 by Molmil
Ras G12V - PI 3-kinase gamma complex
Descriptor: MAGNESIUM ION, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, GAMMA ISOFORM, ...
Authors:Pacold, M.E, Suire, S, Perisic, O, Lara-Gonzalez, S, Davis, C.T, Hawkins, P.T, Walker, E.H, Stephens, L, Eccleston, J.F, Williams, R.L.
Deposit date:2000-11-20
Release date:2001-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure and Functional Analysis of Ras Binding to its Effector Phosphoinositide 3-Kinase Gamma
Cell(Cambridge,Mass.), 103, 2000

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