4Z0E
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![BU of 4z0e by Molmil](/molmil-images/mine/4z0e) | Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038TRN] peptide | Descriptor: | Apical membrane antigen 1, Rhoptry neck protein 2 | Authors: | Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J. | Deposit date: | 2015-03-26 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction. J.Mol.Biol., 428, 2016
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4Z0F
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![BU of 4z0f by Molmil](/molmil-images/mine/4z0f) | Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038(6CW)] peptide | Descriptor: | Apical membrane antigen 1, Rhoptry neck protein 2 | Authors: | Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J. | Deposit date: | 2015-03-26 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction. J.Mol.Biol., 428, 2016
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4Z0D
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![BU of 4z0d by Molmil](/molmil-images/mine/4z0d) | Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038Trp] peptide | Descriptor: | Apical membrane antigen 1, Rhoptry neck protein 2 | Authors: | Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J. | Deposit date: | 2015-03-26 | Release date: | 2016-08-03 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction. J.Mol.Biol., 428, 2016
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1VM3
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![BU of 1vm3 by Molmil](/molmil-images/mine/1vm3) | |
1VM2
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![BU of 1vm2 by Molmil](/molmil-images/mine/1vm2) | |
1VM4
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![BU of 1vm4 by Molmil](/molmil-images/mine/1vm4) | |
6WHD
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![BU of 6whd by Molmil](/molmil-images/mine/6whd) | Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2 | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid | Authors: | Wang, G, Heras, B. | Deposit date: | 2020-04-08 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
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4Z09
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![BU of 4z09 by Molmil](/molmil-images/mine/4z09) | Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Thr2040Ala] peptide | Descriptor: | Apical membrane antigen 1, GLYCEROL, Rhoptry neck protein 2 | Authors: | Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J. | Deposit date: | 2015-03-26 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction. J.Mol.Biol., 428, 2016
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2L5M
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![BU of 2l5m by Molmil](/molmil-images/mine/2l5m) | Solution structure of GF-17 in complex with micelles | Descriptor: | GF-17 | Authors: | Wang, G. | Deposit date: | 2010-11-02 | Release date: | 2011-11-02 | Last modified: | 2012-02-29 | Method: | SOLUTION NMR | Cite: | Decoding the Functional Roles of Cationic Side Chains of the Major Antimicrobial Region of Human Cathelicidin LL-37. Antimicrob.Agents Chemother., 56, 2012
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8PM3
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![BU of 8pm3 by Molmil](/molmil-images/mine/8pm3) | Crystal structure of MAP2K6 with a covalent compound GCL94 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide | Authors: | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-28 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of MAP2K6 with a covalent compound GCL94 To Be Published
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1BYM
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![BU of 1bym by Molmil](/molmil-images/mine/1bym) | SOLUTION STRUCTURES OF THE C-TERMINAL DOMAIN OF DIPHTHERIA TOXIN REPRESSOR | Descriptor: | PROTEIN (DIPHTHERIA TOXIN REPRESSOR) | Authors: | Wang, G, Wylie, G.P, Twigg, P.D, Caspar, D.L.D, Murphy, J.R, Logan, T.M. | Deposit date: | 1998-10-17 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and peptide binding studies of the C-terminal src homology 3-like domain of the diphtheria toxin repressor protein. Proc.Natl.Acad.Sci.USA, 96, 1999
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1XOE
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![BU of 1xoe by Molmil](/molmil-images/mine/1xoe) | N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ... | Authors: | Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. | Deposit date: | 2004-10-06 | Release date: | 2005-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase
containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg.Med.Chem.Lett., 15, 2005
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8P7J
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![BU of 8p7j by Molmil](/molmil-images/mine/8p7j) | Crystal structure of MAP2K6 with a covalent compound GCL96 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide | Authors: | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-30 | Release date: | 2023-07-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of MAP2K6 with a covalent compound GCL96 To Be Published
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3H98
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![BU of 3h98 by Molmil](/molmil-images/mine/3h98) | Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | Descriptor: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | Deposit date: | 2009-04-30 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives. Bioorg.Med.Chem.Lett., 19, 2009
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8Q1Z
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![BU of 8q1z by Molmil](/molmil-images/mine/8q1z) | |
1XOG
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![BU of 1xog by Molmil](/molmil-images/mine/1xog) | N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ... | Authors: | Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. | Deposit date: | 2004-10-06 | Release date: | 2005-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg.Med.Chem.Lett., 15, 2005
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6PVY
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![BU of 6pvy by Molmil](/molmil-images/mine/6pvy) | |
8K5O
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![BU of 8k5o by Molmil](/molmil-images/mine/8k5o) | Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ... | Authors: | Wang, G.-L, Qi, C.-H, Yu, L.-J. | Deposit date: | 2023-07-22 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris. J Integr Plant Biol, 2024
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8EOC
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![BU of 8eoc by Molmil](/molmil-images/mine/8eoc) | Crystal structure of E.coli DsbA mutant E24A/K58A | Descriptor: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-03 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQQ
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![BU of 8eqq by Molmil](/molmil-images/mine/8eqq) | Crystal structure of E.coli DsbA mutant E37A | Descriptor: | CITRATE ANION, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQO
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![BU of 8eqo by Molmil](/molmil-images/mine/8eqo) | Crystal structure of E.coli DsbA mutant K58A | Descriptor: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQP
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![BU of 8eqp by Molmil](/molmil-images/mine/8eqp) | Crystal structure of E.coli DsbA mutant E24A/E37A/K58A | Descriptor: | CITRATE ANION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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8EQR
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![BU of 8eqr by Molmil](/molmil-images/mine/8eqr) | Crystal structure of E.coli DsbA mutant E24A | Descriptor: | DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-09 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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6XSP
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![BU of 6xsp by Molmil](/molmil-images/mine/6xsp) | |
6XSQ
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![BU of 6xsq by Molmil](/molmil-images/mine/6xsq) | |