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4RFB
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BU of 4rfb by Molmil
1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-09-25
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X.
TO BE PUBLISHED
7TD2
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BU of 7td2 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD3
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BU of 7td3 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
4WSL
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BU of 4wsl by Molmil
Crystal structure of designed cPPR-polyC protein
Descriptor: Pentatricopeptide repeat protein
Authors:Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
Deposit date:2014-10-28
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
5JUE
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BU of 5jue by Molmil
Crystal Structure of UIC2 Fab
Descriptor: GLYCEROL, heavy chain of UIC2 Fab, light chain of UIC2 Fab
Authors:Xia, D, Esser, L.
Deposit date:2016-05-10
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the antigen-binding fragment of a monoclonal antibody specific for the multidrug-resistance-linked ABC transporter human P-glycoprotein.
Acta Crystallogr.,Sect.F, 72, 2016
7TD1
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BU of 7td1 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
5K2D
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BU of 5k2d by Molmil
1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
7TD4
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BU of 7td4 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
4Y9W
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BU of 4y9w by Molmil
Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 0.82 A Resolution.
Descriptor: Aspartic acid endopeptidase Sapp2, PEPTIDE
Authors:Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Mareckova, L, Pichova, I.
Deposit date:2015-02-17
Release date:2016-11-30
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.
Acta Crystallogr.,Sect.D, 71, 2015
4QS8
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BU of 4qs8 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
Descriptor: Hexokinase-1
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
7TFM
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BU of 7tfm by Molmil
Atomic Structure of the Leishmania spp. Hsp100 N-Domain
Descriptor: ATP-dependent Clp protease subunit, heat shock protein 100 (HSP100), GLYCEROL
Authors:Mercado, J.M, Lee, S, Chang, C, Sung, N, Soong, L, Catic, A, Tsai, F.T.F.
Deposit date:2022-01-06
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.055 Å)
Cite:Atomic structure of the Leishmania spp. Hsp100 N-domain.
Proteins, 90, 2022
5K5X
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BU of 5k5x by Molmil
Crystal structure of human PDGFRA
Descriptor: Platelet-derived growth factor receptor alpha, SULFATE ION
Authors:Yan, X.E, Liang, L, Yun, C.H.
Deposit date:2016-05-24
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.168 Å)
Cite:Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016
4YE2
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BU of 4ye2 by Molmil
The 1.35 structure of a viral RNase L antagonist reveals basis for the 2'-5'-oligoadenylate binding and enzyme activity.
Descriptor: ADENOSINE-2'-5'-DIPHOSPHATE, Capping enzyme protein, SULFATE ION
Authors:Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2015-02-23
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Structural basis for 2'-5'-oligoadenylate binding and enzyme activity of a viral RNase L antagonist.
J.Virol., 89, 2015
5K8X
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BU of 5k8x by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor U3
Descriptor: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
Authors:Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Crystal structure of mouse CARM1 in complex with inhibitor U3
To Be Published
2E02
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BU of 2e02 by Molmil
Crystal structure of H369L mutant of yeast bleomycin hydrolase
Descriptor: Cysteine proteinase 1
Authors:O'Farrell, P.A, Joshua-Tor, L.
Deposit date:2006-10-01
Release date:2007-08-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
7C34
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BU of 7c34 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
Descriptor: BERBERINE, Chitinase
Authors:Chen, L, Chen, J, Yang, Q.
Deposit date:2020-05-11
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Crystal structure-guided design of berberine-based novel chitinase inhibitors.
J Enzyme Inhib Med Chem, 35, 2020
5K47
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BU of 5k47 by Molmil
CryoEM structure of the human Polycystin-2/PKD2 TRP channel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
Authors:Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-05-20
Release date:2016-08-24
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2).
Nat. Struct. Mol. Biol., 24, 2017
5KCK
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BU of 5kck by Molmil
Crystal structure of anthranilate synthase component I from Streptococcus pneumoniae TIGR4
Descriptor: Anthranilate synthase component I, GLYCEROL
Authors:Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-06-06
Release date:2016-06-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of anthranilate synthase component I from Streptococcus pneumoniae TIGR4
To Be Published
4R55
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BU of 4r55 by Molmil
The crystal structure of a Cren7 mutant protein GR and dsDNA complex
Descriptor: Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3')
Authors:Zhang, Z.F, Gong, Y, Chen, Y.Y, Li, H.B, Huang, L.
Deposit date:2014-08-20
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the interaction between Cren7 and DNA: the role of loop beta 3-beta 4
Extremophiles, 19, 2015
1AWY
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BU of 1awy by Molmil
NMR STRUCTURE OF CALCIUM BOUND CONFORMER OF CONANTOKIN G, MINIMIZED AVERAGE STRUCTURE
Descriptor: CONANTOXIN G
Authors:Rigby, A.C, Baleja, J.D, Leping, L, Pedersen, L.G, Furie, B.C, Furie, B.
Deposit date:1997-10-06
Release date:1998-04-08
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Role of gamma-carboxyglutamic acid in the calcium-induced structural transition of conantokin G, a conotoxin from the marine snail Conus geographus.
Biochemistry, 36, 1997
5K6X
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BU of 5k6x by Molmil
Sidekick-2 immunoglobulin domains 1-4, crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2016-05-25
Release date:2016-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
4R7B
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BU of 4r7b by Molmil
Crystal structure of pneumococcal LicA in complex with choline
Descriptor: CHOLINE ION, Choline kinase
Authors:Wang, L, Jiang, Y.L, Zhou, C.Z, Chen, Y.X.
Deposit date:2014-08-27
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
4YNZ
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BU of 4ynz by Molmil
Structure of the N-terminal domain of SAD
Descriptor: Serine/threonine-protein kinase BRSK2
Authors:Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
Deposit date:2015-03-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
4RAD
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BU of 4rad by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Descriptor: (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
Deposit date:2014-09-10
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
4QVR
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BU of 4qvr by Molmil
2.3 Angstrom Crystal Structure of Hypothetical Protein FTT1539c from Francisella tularensis.
Descriptor: Uncharacterized hypothetical protein FTT_1539c
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Ren, G, Huntley, J.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-07-15
Release date:2014-07-30
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2.3 Angstrom Crystal Structure of Hypothetical Protein FTT1539c from Francisella tularensis.
TO BE PUBLISHED

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