7LIG
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8AOX
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7LHH
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![BU of 7lhh by Molmil](/molmil-images/mine/7lhh) | Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapG in the second conformation | Descriptor: | Chaperone protein PapD, Fimbrial adapter PapK, P fimbria tip G-adhesin PapG-II, ... | Authors: | Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D. | Deposit date: | 2021-01-23 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis. Nat Commun, 12, 2021
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5DGU
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![BU of 5dgu by Molmil](/molmil-images/mine/5dgu) | Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A | Descriptor: | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | Deposit date: | 2015-08-28 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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5JPS
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8AOW
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![BU of 8aow by Molmil](/molmil-images/mine/8aow) | CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with m7GTP and SAH ligands | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Jones, R, Hons, M, Reguera, J. | Deposit date: | 2022-08-08 | Release date: | 2023-03-29 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores. Proc.Natl.Acad.Sci.USA, 120, 2023
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8AEM
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![BU of 8aem by Molmil](/molmil-images/mine/8aem) | Structure of Compound 13 bound to CK2alpha | Descriptor: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | Deposit date: | 2022-07-13 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7LIC
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1LJZ
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![BU of 1ljz by Molmil](/molmil-images/mine/1ljz) | NMR structure of an AChR-peptide (Torpedo Californica, alpha-subunit residues 182-202) in complex with alpha-Bungarotoxin | Descriptor: | Acetylcholine receptor protein, alpha-Bungarotoxin | Authors: | Samson, A.O, Scherf, T, Eisenstein, M, Chill, J.H, Anglister, J. | Deposit date: | 2002-04-23 | Release date: | 2002-07-17 | Last modified: | 2013-07-24 | Method: | SOLUTION NMR | Cite: | The mechanism for acetylcholine receptor inhibition by alpha-neurotoxins and species-specific resistance to alpha-bungarotoxin revealed by NMR. Neuron, 35, 2002
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3C1R
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![BU of 3c1r by Molmil](/molmil-images/mine/3c1r) | Crystal structure of oxidized GRX1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutaredoxin-1 | Authors: | Yu, J, Zhou, C.Z. | Deposit date: | 2008-01-24 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Glutathionylation-triggered conformational changes of glutaredoxin Grx1 from the yeast Saccharomyces cerevisiae. Proteins, 72, 2008
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8KDC
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![BU of 8kdc by Molmil](/molmil-images/mine/8kdc) | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in monomeric form | Descriptor: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | Authors: | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | Deposit date: | 2023-08-09 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for dimerization of a paramyxovirus polymerase complex. Nat Commun, 15, 2024
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5DHR
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![BU of 5dhr by Molmil](/molmil-images/mine/5dhr) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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1H4B
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![BU of 1h4b by Molmil](/molmil-images/mine/1h4b) | SOLUTION STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 4 | Descriptor: | CALCIUM ION, POLCALCIN BET V 4 | Authors: | Neudecker, P, Nerkamp, J, Eisenmann, A, Lauber, T, Lehmann, K, Schweimer, K, Roesch, P. | Deposit date: | 2003-02-26 | Release date: | 2004-02-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure, Dynamics, and Hydrodynamics of the Calcium-Bound Cross-Reactive Birch Pollen Allergen Bet V 4 Reveal a Canonical Monomeric Two EF-Hand Assembly with a Regulatory Function J.Mol.Biol., 336, 2004
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8OKE
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![BU of 8oke by Molmil](/molmil-images/mine/8oke) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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7LID
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7LHI
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![BU of 7lhi by Molmil](/molmil-images/mine/7lhi) | Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapF-PapG | Descriptor: | Chaperone protein PapD, Fimbrial adapter PapK, Fimbrial protein, ... | Authors: | Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D. | Deposit date: | 2021-01-23 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis. Nat Commun, 12, 2021
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1GNN
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![BU of 1gnn by Molmil](/molmil-images/mine/1gnn) | HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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4OMP
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8OKG
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![BU of 8okg by Molmil](/molmil-images/mine/8okg) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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3BX1
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![BU of 3bx1 by Molmil](/molmil-images/mine/3bx1) | Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase | Descriptor: | Alpha-amylase/subtilisin inhibitor, CALCIUM ION, CHLORIDE ION, ... | Authors: | Micheelsen, P.O, Vevodova, J, Wilson, K, Skjot, M. | Deposit date: | 2008-01-11 | Release date: | 2008-07-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Mutational Analyses of the Interaction between the Barley alpha-Amylase/Subtilisin Inhibitor and the Subtilisin Savinase Reveal a Novel Mode of Inhibition J.Mol.Biol., 380, 2008
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8KDB
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![BU of 8kdb by Molmil](/molmil-images/mine/8kdb) | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in dimeric form | Descriptor: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | Authors: | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | Deposit date: | 2023-08-09 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for dimerization of a paramyxovirus polymerase complex. Nat Commun, 15, 2024
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5KBL
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![BU of 5kbl by Molmil](/molmil-images/mine/5kbl) | Candida Albicans Superoxide Dismutase 5 (SOD5), E110Q Mutant | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-06-03 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.414 Å) | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases. J.Biol.Chem., 291, 2016
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5DHP
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![BU of 5dhp by Molmil](/molmil-images/mine/5dhp) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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8JYY
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1GNM
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![BU of 1gnm by Molmil](/molmil-images/mine/1gnm) | HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR) | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | Deposit date: | 1996-05-04 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases. Biochemistry, 35, 1996
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