1AET
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![BU of 1aet by Molmil](/molmil-images/mine/1aet) | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE) | Descriptor: | 1-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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5JVO
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![BU of 5jvo by Molmil](/molmil-images/mine/5jvo) | Crystal structure of the Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis | Descriptor: | Arginine repressor, SULFATE ION, TYROSINE | Authors: | Mariutti, R.B, Ullah, A, Murakami, M.T, Arni, R.K. | Deposit date: | 2016-05-11 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tyrosine binding and promiscuity in the arginine repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis. Biochem.Biophys.Res.Commun., 475, 2016
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5AR5
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![BU of 5ar5 by Molmil](/molmil-images/mine/5ar5) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole | Descriptor: | 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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7LXT
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![BU of 7lxt by Molmil](/molmil-images/mine/7lxt) | Structure of Plasmodium falciparum 20S proteasome with bound bortezomib | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MIO
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![BU of 5mio by Molmil](/molmil-images/mine/5mio) | KIF2C-DARPIN FUSION PROTEIN BOUND TO TUBULIN | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN, ... | Authors: | Wang, W, Gigant, B. | Deposit date: | 2016-11-28 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Insight into microtubule disassembly by kinesin-13s from the structure of Kif2C bound to tubulin. Nat Commun, 8, 2017
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7LXU
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![BU of 7lxu by Molmil](/molmil-images/mine/7lxu) | Structure of Plasmodium falciparum 20S proteasome with bound MPI-5 | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
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8I93
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![BU of 8i93 by Molmil](/molmil-images/mine/8i93) | ACE2-B0AT1 complex bound with methionine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | Deposit date: | 2023-02-06 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1. Cell Discov, 9, 2023
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7LXV
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![BU of 7lxv by Molmil](/molmil-images/mine/7lxv) | Structure of human 20S proteasome with bound MPI-5 | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
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6UTE
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![BU of 6ute by Molmil](/molmil-images/mine/6ute) | Crystal structure of Z032 Fab in complex with WNV EDIII | Descriptor: | Envelope domain III, GLYCEROL, Z032 Fab heavy chain, ... | Authors: | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for Zika envelope domain III recognition by a germline version of a recurrent neutralizing antibody. Proc.Natl.Acad.Sci.USA, 117, 2020
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1MCB
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![BU of 1mcb by Molmil](/molmil-images/mine/1mcb) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-OH | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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6COC
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![BU of 6coc by Molmil](/molmil-images/mine/6coc) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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1MCI
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![BU of 1mci by Molmil](/molmil-images/mine/1mci) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-PHE-L-HIS-D-PRO-OH | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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1MCS
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![BU of 1mcs by Molmil](/molmil-images/mine/1mcs) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-OH | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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6NRL
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![BU of 6nrl by Molmil](/molmil-images/mine/6nrl) | |
5W4M
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![BU of 5w4m by Molmil](/molmil-images/mine/5w4m) | |
1A3O
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![BU of 1a3o by Molmil](/molmil-images/mine/1a3o) | ARTIFICIAL MUTANT (ALPHA Y42H) OF DEOXY HEMOGLOBIN | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tame, J, Vallone, B. | Deposit date: | 1998-01-22 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structures of deoxy human haemoglobin and the mutant Hb Tyralpha42His at 120 K. Acta Crystallogr.,Sect.D, 56, 2000
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5UPQ
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![BU of 5upq by Molmil](/molmil-images/mine/5upq) | Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand | Descriptor: | 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ... | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2017-02-03 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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185L
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![BU of 185l by Molmil](/molmil-images/mine/185l) | |
7MHF
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![BU of 7mhf by Molmil](/molmil-images/mine/7mhf) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHG
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![BU of 7mhg by Molmil](/molmil-images/mine/7mhg) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7M3I
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![BU of 7m3i by Molmil](/molmil-images/mine/7m3i) | |
1OXU
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![BU of 1oxu by Molmil](/molmil-images/mine/1oxu) | Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus | Descriptor: | ABC transporter, ATP binding protein, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M. | Deposit date: | 2003-04-03 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations J.Mol.Biol., 330, 2003
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1BJP
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![BU of 1bjp by Molmil](/molmil-images/mine/1bjp) | CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | 2-OXO-3-PENTENOIC ACID, 4-OXALOCROTONATE TAUTOMERASE | Authors: | Taylor, A.B, Czerwinski, R.M, Johnson Junior, W.H, Whitman, C.P, Hackert, M.L. | Deposit date: | 1998-06-26 | Release date: | 1998-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of 4-oxalocrotonate tautomerase inactivated by 2-oxo-3-pentynoate at 2.4 A resolution: analysis and implications for the mechanism of inactivation and catalysis. Biochemistry, 37, 1998
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6NWC
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![BU of 6nwc by Molmil](/molmil-images/mine/6nwc) | PYL10 bound to the ABA pan-agonist 3CB | Descriptor: | 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10 | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2019-02-06 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Dynamic control of plant water use using designed ABA receptor agonists. Science, 366, 2019
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6V0P
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![BU of 6v0p by Molmil](/molmil-images/mine/6v0p) | PRMT5 complex bound to covalent PBM inhibitor BRD6711 | Descriptor: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ... | Authors: | McMillan, B.J, McKinney, D.C. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction. J.Med.Chem., 64, 2021
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