7R8P
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7R8Q
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![BU of 7r8q by Molmil](/molmil-images/mine/7r8q) | Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-06-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism. J.Biol.Chem., 298, 2022
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4OS4
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![BU of 4os4 by Molmil](/molmil-images/mine/4os4) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1) | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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6L5Y
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![BU of 6l5y by Molmil](/molmil-images/mine/6l5y) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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4XP3
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![BU of 4xp3 by Molmil](/molmil-images/mine/4xp3) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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2XVP
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6V4B
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![BU of 6v4b by Molmil](/molmil-images/mine/6v4b) | DeCLIC N-terminal Domain 34-202 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Neur_chan_LBD domain-containing protein, ... | Authors: | Delarue, M, Hu, H.D. | Deposit date: | 2019-11-27 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 117, 2020
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6O60
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![BU of 6o60 by Molmil](/molmil-images/mine/6o60) | Crystal structure of GGTase3-FBXL2-SKP1 complex | Descriptor: | F-box/LRR-repeat protein 2, Geranylgeranyl transferase type-2 subunit beta, Protein prenyltransferase alpha subunit repeat-containing protein 1, ... | Authors: | Wang, H, Zheng, N. | Deposit date: | 2019-03-04 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | GGTase3 is a newly identified geranylgeranyltransferase targeting a ubiquitin ligase. Nat.Struct.Mol.Biol., 26, 2019
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1U3R
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![BU of 1u3r by Molmil](/molmil-images/mine/1u3r) | Crystal Structure of Estrogen Receptor beta complexed with WAY-338 | Descriptor: | 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1 | Authors: | Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2004-07-22 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J.Med.Chem., 47, 2004
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5KWV
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3QF8
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6L5W
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![BU of 6l5w by Molmil](/molmil-images/mine/6l5w) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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7Q18
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![BU of 7q18 by Molmil](/molmil-images/mine/7q18) | Beta-lactoglobulin mutant FAF (I56F/L39A/M107F), unliganded form | Descriptor: | Beta-lactoglobulin, SULFATE ION | Authors: | Loch, J.I, Cymborowski, M.T, Minor, W, Lewinski, K. | Deposit date: | 2021-10-18 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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7Q17
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![BU of 7q17 by Molmil](/molmil-images/mine/7q17) | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin | Authors: | Loch, J.I, Barciszewski, J, Lewinski, K. | Deposit date: | 2021-10-18 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
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6L5X
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![BU of 6l5x by Molmil](/molmil-images/mine/6l5x) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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4HHV
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![BU of 4hhv by Molmil](/molmil-images/mine/4hhv) | Crystal structure of ceramide transfer protein pleckstrin homology domain | Descriptor: | ACETATE ION, CHLORIDE ION, Collagen type IV alpha-3-binding protein, ... | Authors: | Prashek, J, Truong, T, Yao, X. | Deposit date: | 2012-10-10 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Pleckstrin Homology Domain from the Ceramide Transfer Protein: Implications for Conformational Change upon Ligand Binding. Plos One, 8, 2013
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7PPX
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![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6L5V
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![BU of 6l5v by Molmil](/molmil-images/mine/6l5v) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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4L98
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![BU of 4l98 by Molmil](/molmil-images/mine/4l98) | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C. | Deposit date: | 2013-06-18 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy. Acta Crystallogr.,Sect.D, 70, 2014
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4Q9H
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![BU of 4q9h by Molmil](/molmil-images/mine/4q9h) | P-glycoprotein at 3.4 A resolution | Descriptor: | Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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5O2F
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![BU of 5o2f by Molmil](/molmil-images/mine/5o2f) | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2017-05-20 | Release date: | 2018-12-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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6LCX
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![BU of 6lcx by Molmil](/molmil-images/mine/6lcx) | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | Descriptor: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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5AWK
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![BU of 5awk by Molmil](/molmil-images/mine/5awk) | Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue | Descriptor: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | Deposit date: | 2015-07-04 | Release date: | 2015-11-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity. Bioorg.Med.Chem., 23, 2015
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7NRS
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![BU of 7nrs by Molmil](/molmil-images/mine/7nrs) | Conformation 1 of straight filament from primary age-related tauopathy brain | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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7NRQ
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![BU of 7nrq by Molmil](/molmil-images/mine/7nrq) | Paired helical filament from primary age-related tauopathy brain | Descriptor: | Microtubule-associated protein tau | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-03-04 | Release date: | 2021-03-24 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607. Acta Neuropathol, 141, 2021
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