5JCQ
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8CQI
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![BU of 8cqi by Molmil](/molmil-images/mine/8cqi) | Human heparanase in complex with inhibitor R3794 | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ... | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | Deposit date: | 2023-03-06 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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6NUC
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![BU of 6nuc by Molmil](/molmil-images/mine/6nuc) | Structure of Calcineurin in complex with NHE1 peptide | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, X, Page, R, Peti, W. | Deposit date: | 2019-01-31 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin. Nat Commun, 10, 2019
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6Z5P
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![BU of 6z5p by Molmil](/molmil-images/mine/6z5p) | The RSL-R8 - sulfonato-calix[8]arene complex, P3 form, TRIS-HCl pH 8.5 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SULFATE ION, ... | Authors: | Ramberg, K, Skorek, T, Engilberge, S, Crowley, P.B. | Deposit date: | 2020-05-27 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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5J0J
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![BU of 5j0j by Molmil](/molmil-images/mine/5j0j) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | designed protein 2L6HC3_6 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.256 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J2U
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![BU of 5j2u by Molmil](/molmil-images/mine/5j2u) | Tubulin-MMAF complex | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | Deposit date: | 2016-03-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics. Plos One, 11, 2016
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8CP4
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![BU of 8cp4 by Molmil](/molmil-images/mine/8cp4) | [4Fe-4S] cluster containing LarE in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B. | Deposit date: | 2023-03-01 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE. Protein Sci., 33, 2024
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5MRW
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![BU of 5mrw by Molmil](/molmil-images/mine/5mrw) | Structure of the KdpFABC complex | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Huang, C, Pedersen, B.P, Stokes, D.L. | Deposit date: | 2016-12-27 | Release date: | 2017-06-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the potassium-importing KdpFABC membrane complex. Nature, 546, 2017
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5MAG
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![BU of 5mag by Molmil](/molmil-images/mine/5mag) | Crystal structure of MELK in complex with an inhibitor | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | Deposit date: | 2016-11-03 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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1BP2
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![BU of 1bp2 by Molmil](/molmil-images/mine/1bp2) | STRUCTURE OF BOVINE PANCREATIC PHOSPHOLIPASE A2 AT 1.7 ANGSTROMS RESOLUTION | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Dijkstra, B.W, Kalk, K.H, Hol, W.G.J, Drenth, J. | Deposit date: | 1981-04-06 | Release date: | 1981-05-21 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of bovine pancreatic phospholipase A2 at 1.7A resolution. J.Mol.Biol., 147, 1981
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7RSL
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![BU of 7rsl by Molmil](/molmil-images/mine/7rsl) | Seipin forms a flexible cage at lipid droplet formation sites | Descriptor: | Seipin | Authors: | Arlt, H, Sui, X, Folger, B, Adams, C, Chen, X, Remme, R, Hamprecht, F.A, DiMaio, F, Liao, M, Goodman, J.M, Farese Jr, R.V, Walther, T.C. | Deposit date: | 2021-08-11 | Release date: | 2022-02-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Seipin forms a flexible cage at lipid droplet formation sites. Nat.Struct.Mol.Biol., 29, 2022
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6RCU
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![BU of 6rcu by Molmil](/molmil-images/mine/6rcu) | PfRH5 bound to monoclonal antibodies R5.004 and R5.016 | Descriptor: | R5.004 heavy chain, R5.004 light chain, R5.016 heavy chain, ... | Authors: | Alanine, D.W.G, Draper, S.J, Higgins, M.K. | Deposit date: | 2019-04-11 | Release date: | 2019-06-26 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (4.005 Å) | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies. Cell, 178, 2019
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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5J62
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![BU of 5j62 by Molmil](/molmil-images/mine/5j62) | FMN-dependent Nitroreductase (CDR20291_0684) from Clostridium difficile R20291 | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Wang, B, Powell, S.M, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B. | Deposit date: | 2016-04-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole. Nitric Oxide, 60, 2016
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6ZH5
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![BU of 6zh5 by Molmil](/molmil-images/mine/6zh5) | Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor | Descriptor: | FE (III) ION, Ferritin | Authors: | Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A. | Deposit date: | 2020-06-21 | Release date: | 2021-04-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM. J.Am.Chem.Soc., 142, 2020
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6E05
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![BU of 6e05 by Molmil](/molmil-images/mine/6e05) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant) | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-07-06 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase. Acta Crystallogr D Struct Biol, 74, 2018
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8A60
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7RFV
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![BU of 7rfv by Molmil](/molmil-images/mine/7rfv) | Tailspike protein 4 (TSP4) from phage CBA120, residues 1-250, obtained in the presence of PEG8000 | Descriptor: | Tailspike protein | Authors: | Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O. | Deposit date: | 2021-07-14 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N). Sci Rep, 12, 2022
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7RQQ
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7R10
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![BU of 7r10 by Molmil](/molmil-images/mine/7r10) | Dissociated S1 domain of Alpha Variant SARS-CoV-2 Spike bound to ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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5IZS
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![BU of 5izs by Molmil](/molmil-images/mine/5izs) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | Designed protein 5L6HC3_1 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Oberdorfer, G. | Deposit date: | 2016-03-25 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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6YYP
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![BU of 6yyp by Molmil](/molmil-images/mine/6yyp) | Structure of Cathepsin S in complex with Compound 2 | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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1C85
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![BU of 1c85 by Molmil](/molmil-images/mine/1c85) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-BENZOIC ACID | Descriptor: | 2-(OXALYL-AMINO)-BENZOIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | Authors: | Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P. | Deposit date: | 2000-04-16 | Release date: | 2000-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | 2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases. J.Biol.Chem., 275, 2000
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6YYQ
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![BU of 6yyq by Molmil](/molmil-images/mine/6yyq) | Structure of Cathepsin S in complex with Compound 3 | Descriptor: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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5IUF
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![BU of 5iuf by Molmil](/molmil-images/mine/5iuf) | |