8TLI
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![BU of 8tli by Molmil](/molmil-images/mine/8tli) | THERMOLYSIN (100% ISOPROPANOL SOAKED CRYSTALS) | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | Deposit date: | 1998-10-30 | Release date: | 2000-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol. Proteins, 37, 1999
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5LU3
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![BU of 5lu3 by Molmil](/molmil-images/mine/5lu3) | The Structure of Spirochaeta thermophila CBM64 | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-oxobutanoic acid, CALCIUM ION, ... | Authors: | Correia, M.A.S, Romao, M.J, Carvalho, A.L. | Deposit date: | 2016-09-07 | Release date: | 2017-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Stability and Ligand Promiscuity of Type A Carbohydrate-binding Modules Are Illustrated by the Structure of Spirochaeta thermophila StCBM64C. J. Biol. Chem., 292, 2017
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6Y38
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![BU of 6y38 by Molmil](/molmil-images/mine/6y38) | Crystal structure of Whirlin PDZ3 in complex with Myosin 15a C-terminal PDZ binding motif peptide | Descriptor: | Chains: C,D, Whirlin | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | Deposit date: | 2020-02-17 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners. J.Mol.Biol., 432, 2020
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7RRO
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![BU of 7rro by Molmil](/molmil-images/mine/7rro) | Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia | Descriptor: | Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ... | Authors: | Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A. | Deposit date: | 2021-08-10 | Release date: | 2021-10-27 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo identification of mammalian ciliary motility proteins using cryo-EM. Cell, 184, 2021
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5MIJ
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![BU of 5mij by Molmil](/molmil-images/mine/5mij) | X-ray structure of carboplatin-encapsulated horse spleen apoferritin | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | Deposit date: | 2016-11-28 | Release date: | 2017-03-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage. ACS Med Chem Lett, 8, 2017
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7RP0
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![BU of 7rp0 by Molmil](/molmil-images/mine/7rp0) | Structural Snapshots of Intermediates in the Gating of a K+ Channel | Descriptor: | DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ... | Authors: | Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I. | Deposit date: | 2021-08-02 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structures of Gating Intermediates in a K + channell. J.Mol.Biol., 433, 2021
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6Q1M
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![BU of 6q1m by Molmil](/molmil-images/mine/6q1m) | Crystal structure of the wheat dwarf virus Rep domain | Descriptor: | GLYCEROL, Replication-associated protein | Authors: | Litzau, L.A, Everett, B.A, Evans III, R.L, Shi, K, Tompkins, K, Gordon, W.R. | Deposit date: | 2019-08-05 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the Wheat dwarf virus Rep domain. Acta Crystallogr.,Sect.F, 75, 2019
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6WIE
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![BU of 6wie by Molmil](/molmil-images/mine/6wie) | Post-catalytic nicked complex of human Polymerase Mu on a complementary DNA double-strand break substrate | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*G)-3'), ... | Authors: | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2020-04-09 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break. Nat Commun, 11, 2020
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8GH7
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![BU of 8gh7 by Molmil](/molmil-images/mine/8gh7) | 142D6 bound to BIR3-XIAP | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BIR3 inhibitor MAA-CHG-PRO-ZHW, E3 ubiquitin-protein ligase XIAP, ... | Authors: | Garza-Granados, A, McGuire, J, Baggio, C, Pellecchia, M, Pegan, S.D. | Deposit date: | 2023-03-09 | Release date: | 2023-07-05 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of a Potent and Orally Bioavailable Lys-Covalent Inhibitor of Apoptosis Protein (IAP) Antagonist. J.Med.Chem., 66, 2023
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4YUK
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![BU of 4yuk by Molmil](/molmil-images/mine/4yuk) | Multiconformer synchrotron model of CypA at 260 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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5MNQ
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![BU of 5mnq by Molmil](/molmil-images/mine/5mnq) | Cationic trypsin in complex with a derivative of N-amidinopiperidine | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.337 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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6VVX
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![BU of 6vvx by Molmil](/molmil-images/mine/6vvx) | Mycobacterium tuberculosis WT RNAP transcription initiation intermediate structure with Sorangicin | Descriptor: | DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Campbell, E.A, Darst, S.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QA8
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![BU of 6qa8 by Molmil](/molmil-images/mine/6qa8) | Glycogen Phosphorylase b in complex with 28 | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
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5MFV
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![BU of 5mfv by Molmil](/molmil-images/mine/5mfv) | Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-521 at 2.18 A resolution | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ... | Authors: | Larsen, A.P, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2016-11-18 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors. Mol. Pharmacol., 91, 2017
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6VVS
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![BU of 6vvs by Molmil](/molmil-images/mine/6vvs) | Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with antibiotic Sorangicin | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Braffman, N, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.112 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QAP
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5MQN
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![BU of 5mqn by Molmil](/molmil-images/mine/5mqn) | Glycoside hydrolase BT_0986 | Descriptor: | CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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8GFO
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6ZEZ
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![BU of 6zez by Molmil](/molmil-images/mine/6zez) | |
6SUM
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![BU of 6sum by Molmil](/molmil-images/mine/6sum) | Amicoumacin kinase hAmiN in complex with AMP-PNP, MG2+ and Ami | Descriptor: | ACETATE ION, AMICOUMACIN KINASE, Amicoumacin A, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-16 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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7QGT
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![BU of 7qgt by Molmil](/molmil-images/mine/7qgt) | Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with AOAA. | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hutchin, A, Kopec, J, Majtan, T, Zuhra, K, Szabo, C. | Deposit date: | 2021-12-10 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | H 2 S biogenesis by cystathionine beta-synthase: mechanism of inhibition by aminooxyacetic acid and unexpected role of serine. Cell.Mol.Life Sci., 79, 2022
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5MU4
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![BU of 5mu4 by Molmil](/molmil-images/mine/5mu4) | Tail Tubular Protein A of Klebsiella pneumoniae bacteriophage KP32 | Descriptor: | Tail tubular protein A | Authors: | Pyra, A, Brzozowska, E, Pawlik, K, Dauter, M, Dauter, Z, Gamian, A. | Deposit date: | 2017-01-12 | Release date: | 2017-05-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tail tubular protein A: a dual-function tail protein of Klebsiella pneumoniae bacteriophage KP32. Sci Rep, 7, 2017
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8GFR
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![BU of 8gfr by Molmil](/molmil-images/mine/8gfr) | Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2 | Descriptor: | (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Kovalevsky, A, Coates, L. | Deposit date: | 2023-03-08 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
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8GFU
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6QDB
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![BU of 6qdb by Molmil](/molmil-images/mine/6qdb) | |