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8U53
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BU of 8u53 by Molmil
Mechanically activated ion channel OSCA3.1 in nanodiscs
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CSC1-like protein ERD4, PALMITIC ACID, ...
Authors:Jojoa-Cruz, S, Lee, W.H, Ward, A.B.
Deposit date:2023-09-12
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-guided mutagenesis of OSCAs reveals differential activation to mechanical stimuli.
Elife, 12, 2024
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
Descriptor: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
8UDL
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BU of 8udl by Molmil
Human Mitochondrial DNA Polymerase Gamma Binary Complex
Descriptor: DNA (5'-D(P*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*TP*AP*C)-3'), DNA (5'-D(P*AP*GP*GP*TP*AP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*T)-3'), DNA polymerase subunit gamma-1, ...
Authors:Park, J, Yin, Y.W.
Deposit date:2023-09-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol gamma.
Sci Adv, 10, 2024
6KK7
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BU of 6kk7 by Molmil
Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain
Descriptor: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
1D1Y
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BU of 1d1y by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE)
Descriptor: 1,2-ETHANEDIOL, 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, ACETATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-09-21
Release date:2001-07-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
7VNN
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BU of 7vnn by Molmil
Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with long stem
Descriptor: ADP-ribosylating binary toxin binding subunit CdtB, CALCIUM ION, CdtA
Authors:Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
4GVC
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BU of 4gvc by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide
Descriptor: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ...
Authors:Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J.
Deposit date:2012-08-30
Release date:2013-03-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
4GXS
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BU of 4gxs by Molmil
Ligand binding domain of GluA2 (AMPA/glutamate receptor) bound to (-)-kaitocephalin
Descriptor: (5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline, Glutamate receptor 2, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2012-09-04
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9634 Å)
Cite:The structure of (-)-kaitocephalin bound to the ligand binding domain of the (S)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/glutamate receptor, GluA2.
J.Biol.Chem., 287, 2012
8WLY
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BU of 8wly by Molmil
Cryo-EM structure of bat WIV1 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Wang, X, Qiao, S.
Deposit date:2023-10-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 98, 2024
4GYI
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BU of 4gyi by Molmil
Crystal structure of the Rio2 kinase-ADP/Mg2+-phosphoaspartate complex from Chaetomium thermophilum
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N.
Deposit date:2012-09-05
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit.
Nat.Struct.Mol.Biol., 19, 2012
8WQ0
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BU of 8wq0 by Molmil
Cryo-EM structure of WIV1 spike glycoprotein (the closed state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Qiao, S.
Deposit date:2023-10-10
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 98, 2024
8WLU
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BU of 8wlu by Molmil
Cryo-EM structure of bat RsSHC014 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Wang, X, Qiao, S.
Deposit date:2023-10-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 98, 2024
8WLZ
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BU of 8wlz by Molmil
Cryo-EM structure of the WIV1 S-hACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Wang, X, Qiao, S.
Deposit date:2023-10-01
Release date:2024-07-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite:Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 98, 2024
5VFJ
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BU of 5vfj by Molmil
Crystal structure of BnSP-7 from bothrops pauloensis complexed with caffeic acid
Descriptor: Basic phospholipase A2 homolog BnSP-7, CAFFEIC ACID, SULFATE ION
Authors:De Lima, L.F.G, Fontes, M.R.M.
Deposit date:2017-04-07
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Structural studies with BnSP-7 reveal an atypical oligomeric conformation compared to phospholipases A2-like toxins.
Biochimie, 142, 2017
1ZBB
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BU of 1zbb by Molmil
Structure of the 4_601_167 Tetranucleosome
Descriptor: DNA STRAND 1 (ARBITRARY MODEL SEQUENCE), DNA STRAND 2 (ARBITRARY MODEL SEQUENCE), HISTONE H3, ...
Authors:Schalch, T, Duda, S, Sargent, D.F, Richmond, T.J.
Deposit date:2005-04-08
Release date:2005-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (9 Å)
Cite:X-ray structure of a tetranucleosome and its implications for the chromatin fibre.
Nature, 436, 2005
8TLM
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BU of 8tlm by Molmil
Structure of a class A GPCR/Fab complex
Descriptor: C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ...
Authors:Sun, D, Johnson, M, Masureel, M.
Deposit date:2023-07-27
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
1W4L
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BU of 1w4l by Molmil
Complex of TcAChE with bis-acting galanthamine derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L.
Deposit date:2004-07-25
Release date:2004-11-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
8U1U
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BU of 8u1u by Molmil
Structure of a class A GPCR/agonist complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Sun, D, Johnson, M, Masureel, M.
Deposit date:2023-09-02
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
4K5A
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BU of 4k5a by Molmil
Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W
Descriptor: Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12
Authors:Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A.
Deposit date:2013-04-14
Release date:2014-04-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W
J.Mol.Biol., 426, 2014
4K3D
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BU of 4k3d by Molmil
Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
7U2U
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BU of 7u2u by Molmil
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID
Descriptor: (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION
Authors:Khan, J.A, lewis, H, Kish, K.
Deposit date:2022-02-24
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.
Bioorg.Med.Chem., 67, 2022
4K9V
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BU of 4k9v by Molmil
Complex of CYP3A4 with a desoxyritonavir analog
Descriptor: 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
7VVR
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BU of 7vvr by Molmil
Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Tsukihara, T.
Deposit date:2021-11-08
Release date:2022-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
7VUW
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BU of 7vuw by Molmil
Bovine heart cytochrome c oxidase in the cyanide-bound fully oxidized state at 50 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Tsukihara, T.
Deposit date:2021-11-04
Release date:2022-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
7V4R
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BU of 7v4r by Molmil
The crystal structure of KFDV NS3H bound with Pi
Descriptor: NICKEL (II) ION, PHOSPHATE ION, Serine protease NS3
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-08-14
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kyasanur Forest disease virus NS3 helicase: Insights into structure, activity, and inhibitors.
Int.J.Biol.Macromol., 2023

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