7CU0
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![BU of 7cu0 by Molmil](/molmil-images/mine/7cu0) | Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan | Descriptor: | TRYPTOPHAN, Tryptophan 6-halogenase | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | Deposit date: | 2020-08-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases. J.Biol.Chem., 296, 2020
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6PZ9
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![BU of 6pz9 by Molmil](/molmil-images/mine/6pz9) | Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and repaglinide | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11, ... | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | Deposit date: | 2019-07-31 | Release date: | 2019-08-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM. Elife, 8, 2019
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7UF9
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![BU of 7uf9 by Molmil](/molmil-images/mine/7uf9) | CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFD
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![BU of 7ufd by Molmil](/molmil-images/mine/7ufd) | Human CYP3A4 bound to an inhibitor | Descriptor: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7AV6
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![BU of 7av6 by Molmil](/molmil-images/mine/7av6) | FAST in a domain-swapped dimer form | Descriptor: | FORMIC ACID, Photoactive yellow protein | Authors: | Bukhdruker, S, Remeeva, A, Ruchkin, D, Gorbachev, D, Povarova, N, Mineev, K, Goncharuk, S, Baranov, M, Mishin, A, Borshchevskiy, V. | Deposit date: | 2020-11-04 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids. Chem Sci, 12, 2021
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7UWM
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![BU of 7uwm by Molmil](/molmil-images/mine/7uwm) | Structure of the IL-17A-IL-17RA binary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | Deposit date: | 2022-05-03 | Release date: | 2022-07-27 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis. Nature, 609, 2022
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7UFF
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![BU of 7uff by Molmil](/molmil-images/mine/7uff) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide, PHOSPHATE ION, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFC
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![BU of 7ufc by Molmil](/molmil-images/mine/7ufc) | Human CYP3A4 bound to an inhibitor | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFE
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![BU of 7ufe by Molmil](/molmil-images/mine/7ufe) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFA
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![BU of 7ufa by Molmil](/molmil-images/mine/7ufa) | CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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6Q6J
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![BU of 6q6j by Molmil](/molmil-images/mine/6q6j) | Human phosphoserine phosphatase with substrate analogue homo-cysteic acid | Descriptor: | (2~{S})-2-azanyl-4-sulfo-butanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wouters, J, Haufroid, M, Mirgaux, M. | Deposit date: | 2018-12-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.985 Å) | Cite: | Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase. Acta Crystallogr D Struct Biol, 75, 2019
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6Q6N
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![BU of 6q6n by Molmil](/molmil-images/mine/6q6n) | Crystal structure of recombinant human beta-glucocerebrosidase in complex with biphenyl-cyclophellitol inhibitor (ME655) | Descriptor: | (1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2018-12-11 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish. J.Am.Chem.Soc., 141, 2019
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7UFB
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![BU of 7ufb by Molmil](/molmil-images/mine/7ufb) | CYP3A4 bound to an inhibitor | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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6Z39
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![BU of 6z39 by Molmil](/molmil-images/mine/6z39) | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised epoxide activity based probe | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2020-05-19 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
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7UWN
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![BU of 7uwn by Molmil](/molmil-images/mine/7uwn) | Structure of the IL-17A-IL-17RA-IL-17RC ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | Deposit date: | 2022-05-03 | Release date: | 2022-07-27 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis. Nature, 609, 2022
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7W4P
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![BU of 7w4p by Molmil](/molmil-images/mine/7w4p) | The structure of KATP H175K mutant in closed state | Descriptor: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Wang, M. | Deposit date: | 2021-11-28 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides. Nat Commun, 13, 2022
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4APH
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![BU of 4aph by Molmil](/molmil-images/mine/4aph) | Human angiotensin-converting enzyme in complex with angiotensin-II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | Masuyer, G, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2012-04-03 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity by Natural Inhibitory Peptides. Sci.Rep., 2, 2012
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7B69
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![BU of 7b69 by Molmil](/molmil-images/mine/7b69) | |
7B6A
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![BU of 7b6a by Molmil](/molmil-images/mine/7b6a) | BK Polyomavirus VP1 pentamer core (residues 30-299) | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Osipov, E.M, Munawar, A, Beelen, S, Strelkov, S.V. | Deposit date: | 2020-12-07 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors. Rsc Chem Biol, 3, 2022
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4ALD
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![BU of 4ald by Molmil](/molmil-images/mine/4ald) | HUMAN MUSCLE FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE COMPLEXED WITH FRUCTOSE 1,6-BISPHOSPHATE | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-BISPHOSPHATE ALDOLASE | Authors: | Dalby, A.R, Dauter, Z, Littlechild, J.A. | Deposit date: | 1998-07-26 | Release date: | 1999-03-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications. Protein Sci., 8, 1999
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7B6C
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![BU of 7b6c by Molmil](/molmil-images/mine/7b6c) | BK Polyomavirus VP1 pentamer fusion with long C-terminal extended arm | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Major capsid protein VP1,Major capsid protein VP1 | Authors: | Osipov, E.M, Beelen, S, Strelkov, S.V. | Deposit date: | 2020-12-07 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.484 Å) | Cite: | Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors. Rsc Chem Biol, 3, 2022
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6Z3I
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![BU of 6z3i by Molmil](/molmil-images/mine/6z3i) | Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2020-05-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
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7W4O
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![BU of 7w4o by Molmil](/molmil-images/mine/7w4o) | The structure of KATP H175K mutant in pre-open state | Descriptor: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, L, Wang, M. | Deposit date: | 2021-11-28 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides. Nat Commun, 13, 2022
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5LW9
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![BU of 5lw9 by Molmil](/molmil-images/mine/5lw9) | Crystal structure of human JARID1B in complex with S40563a | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | Deposit date: | 2016-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human JARID1B in complex with S40563a to be published
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5LGD
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![BU of 5lgd by Molmil](/molmil-images/mine/5lgd) | The CIDRa domain from MCvar1 PfEMP1 bound to CD36 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Hsieh, F.L, Higgins, M.K. | Deposit date: | 2016-07-06 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The structural basis for CD36 binding by the malaria parasite. Nat Commun, 7, 2016
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