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7CZY
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BU of 7czy by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2F11_2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZZ
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BU of 7czz by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2F11_3B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
5K0I
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BU of 5k0i by Molmil
mpges1 bound to an inhibitor
Descriptor: 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ...
Authors:Luz, J.G, Kuklish, S.L.
Deposit date:2016-05-17
Release date:2016-09-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7D00
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BU of 7d00 by Molmil
S protein of SARS-CoV-2 in complex bound with FabP5A-1B8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,chain H of FabP5A-1B8,IGH@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZW
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BU of 7czw by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2G7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D03
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BU of 7d03 by Molmil
S protein of SARS-CoV-2 in complex bound with FabP5A-2G7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
4EJN
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BU of 4ejn by Molmil
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
Descriptor: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ...
Authors:Eathiraj, S.
Deposit date:2012-04-06
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
7D0D
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BU of 7d0d by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ...
Authors:Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
2K0T
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BU of 2k0t by Molmil
High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct
Descriptor: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
Authors:Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
Deposit date:2008-02-14
Release date:2009-02-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
6K9G
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BU of 6k9g by Molmil
Human LXR-beta in complex with an agonist
Descriptor: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-06-15
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
5JYG
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BU of 5jyg by Molmil
Cryo-EM structure of the MamK filament at 6.5 A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-like ATPase, MAGNESIUM ION
Authors:Bergeron, J.R.C, Hutto, R, Kollman, J.M.
Deposit date:2016-05-13
Release date:2016-07-27
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Structure of the magnetosome-associated actin-like MamK filament at subnanometer resolution.
Protein Sci., 26, 2017
1Z3C
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BU of 1z3c by Molmil
Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet
Descriptor: S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, mRNA CAPPING ENZYME
Authors:Hausmann, S, Zhang, S, Fabrega, C, Schneller, S.W, Lima, C.D, Shuman, S.
Deposit date:2005-03-11
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
J.Biol.Chem., 280, 2005
7FJM
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BU of 7fjm by Molmil
Cryo EM structure of lysosomal ATPase
Descriptor: Polyamine-transporting ATPase 13A2
Authors:Zhang, S.S.
Deposit date:2021-08-04
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2.
Cell Discov, 7, 2021
5ZAU
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BU of 5zau by Molmil
Complex of the human FYN SH3 and monobody binder
Descriptor: Monobody Binder, Tyrosine-protein kinase Fyn
Authors:Reddy, P.P, Gulyani, A, Das, R.
Deposit date:2018-02-09
Release date:2019-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Fyn biosensor reveals pulsatile, spatially localized kinase activity and signaling crosstalk in live mammalian cells.
Elife, 9, 2020
1GHD
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BU of 1ghd by Molmil
Crystal structure of the glutaryl-7-aminocephalosporanic acid acylase by mad phasing
Descriptor: GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE
Authors:Ding, Y, Jiang, W, Mao, X, He, H, Zhang, S, Tang, H, Bartlam, M, Ye, S, Jiang, F, Liu, Y, Zhao, G, Rao, Z.
Deposit date:2000-12-07
Release date:2003-07-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
6K9M
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BU of 6k9m by Molmil
Human LXR-beta in complex with an agonist
Descriptor: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-06-16
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors.
Eur.J.Med.Chem., 206, 2020
2NM1
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BU of 2nm1 by Molmil
Structure of BoNT/B in complex with its protein receptor
Descriptor: Botulinum neurotoxin type B, Synaptotagmin-2
Authors:Jin, R, Rummel, A, Binz, T, Brunger, A.T.
Deposit date:2006-10-20
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity.
Nature, 444, 2006
5DCE
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BU of 5dce by Molmil
Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated (Tryptophan)
Descriptor: MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, TRYPTOPHAN
Authors:Heyes, L.C, Parker, E.J.
Deposit date:2015-08-24
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Functional Unit of Neisseria meningitidis 3-Deoxy--Arabino-Heptulosonate 7-Phosphate Synthase Is Dimeric.
Plos One, 11, 2016
7BY6
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BU of 7by6 by Molmil
Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389
Descriptor: (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S.
Deposit date:2020-04-21
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
6J36
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BU of 6j36 by Molmil
crystal structure of Mycoplasma hyopneumoniae Enolase
Descriptor: Enolase, GLYCEROL, SULFATE ION
Authors:Chen, R, Zhang, S, Gan, R, Xie, X, Feng, Z, Wang, W, Ran, T, Zhang, W, Xiang, Q, Shao, G.
Deposit date:2019-01-04
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Featured Species-Specific Loops Are Found in the Crystal Structure ofMhpEno, a Cell Surface Adhesin FromMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 9, 2019
4ZAR
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BU of 4zar by Molmil
Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
Descriptor: CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ...
Authors:Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S.
Deposit date:2015-04-14
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
3L4Z
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BU of 3l4z by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with Salacinol
Descriptor: 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
1BJR
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BU of 1bjr by Molmil
COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K
Descriptor: CALCIUM ION, LACTOFERRIN, PROTEINASE K
Authors:Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L.
Deposit date:1998-06-27
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K.
Proteins, 33, 1998

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