1ISX
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![BU of 1isx by Molmil](/molmil-images/mine/1isx) | Crystal structure of xylanase from Streptomyces olivaceoviridis E-86 complexed with xylotriose | Descriptor: | beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | Authors: | Fujimoto, Z, Kuno, A, Kaneko, S, Kobayashi, H, Kusakabe, I, Mizuno, H. | Deposit date: | 2001-12-27 | Release date: | 2002-02-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the sugar complexes of Streptomyces olivaceoviridis E-86 xylanase: sugar binding structure of the family 13 carbohydrate binding module. J.Mol.Biol., 316, 2002
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6GMO
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5VI8
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![BU of 5vi8 by Molmil](/molmil-images/mine/5vi8) | Structure of a mycobacterium smegmatis transcription initiation complex with an upstream-fork promoter fragment | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Hubin, E.A, Campbell, E.A, Darst, S.A. | Deposit date: | 2017-04-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures. Nat Commun, 8, 2017
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1IGP
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7LJ1
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![BU of 7lj1 by Molmil](/molmil-images/mine/7lj1) | Human Prx1-Srx Decameric Complex | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Forshaw, T.E, Reisz, J.A, Nelson, K.J, Gumpena, R, Lawson, J.R, Jonsson, T, Wu, H, Clodfelter, J.E, Johnson, L, Furdui, C.M, Lowther, W.T. | Deposit date: | 2021-01-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Specificity of Human Sulfiredoxin for Reductant and Peroxiredoxin Oligomeric State. Antioxidants (Basel), 10, 2021
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6GM6
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![BU of 6gm6 by Molmil](/molmil-images/mine/6gm6) | [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141Q | Descriptor: | CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ... | Authors: | Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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8R2I
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![BU of 8r2i by Molmil](/molmil-images/mine/8r2i) | Cryo-EM Structure of native Photosystem II assembly intermediate from Chlamydomonas reinhardtii | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Fadeeva, M, Klaiman, D, Kandiah, E, Nelson, N. | Deposit date: | 2023-11-06 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of native photosystem II assembly intermediate from Chlamydomonas reinhardtii . Front Plant Sci, 14, 2023
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1JDZ
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![BU of 1jdz by Molmil](/molmil-images/mine/1jdz) | CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION | Descriptor: | 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, FORMYCIN B, SULFATE ION | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | Deposit date: | 2001-06-15 | Release date: | 2001-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem., 276, 2001
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8AX5
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![BU of 8ax5 by Molmil](/molmil-images/mine/8ax5) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | Descriptor: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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8AX6
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![BU of 8ax6 by Molmil](/molmil-images/mine/8ax6) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | Descriptor: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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8AX7
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![BU of 8ax7 by Molmil](/molmil-images/mine/8ax7) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | Descriptor: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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6K0R
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![BU of 6k0r by Molmil](/molmil-images/mine/6k0r) | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | Deposit date: | 2019-05-07 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals. Sci Transl Med, 12, 2020
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5L7K
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1K0W
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![BU of 1k0w by Molmil](/molmil-images/mine/1k0w) | CRYSTAL STRUCTURE OF L-RIBULOSE-5-PHOSPHATE 4-EPIMERASE | Descriptor: | L-RIBULOSE 5 PHOSPHATE 4-EPIMERASE, ZINC ION | Authors: | Luo, Y, Samuel, J, Mosimann, S.C, Lee, J.E, Strynadka, N.C.J. | Deposit date: | 2001-09-21 | Release date: | 2003-01-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of L-ribulose-5-phosphate 4-epimerase: an aldolase-like platform for epimerization Biochemistry, 40, 2001
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5FAT
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![BU of 5fat by Molmil](/molmil-images/mine/5fat) | OXA-48 in complex with FPI-1602 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-12 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FWJ
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![BU of 5fwj by Molmil](/molmil-images/mine/5fwj) | Crystal structure of human JARID1C in complex with KDM5-C49 | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ... | Authors: | Srikannathasan, V, Szykowska, A, Strain-Damerell, C, Kopec, J, Nowak, R, Gileadi, C, Johansson, C, Kupinska, K, Burgess-Brown, N.A, Shrestha, L, Dong, W, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K, Oppermann, U. | Deposit date: | 2016-02-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5NBK
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![BU of 5nbk by Molmil](/molmil-images/mine/5nbk) | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2017-03-02 | Release date: | 2018-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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8AM2
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![BU of 8am2 by Molmil](/molmil-images/mine/8am2) | Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nachon, F, Brazzolotto, X, Dias, J. | Deposit date: | 2022-08-02 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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5HOP
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![BU of 5hop by Molmil](/molmil-images/mine/5hop) | 1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e | Descriptor: | ACETATE ION, Lmo0182 protein | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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3DA8
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![BU of 3da8 by Molmil](/molmil-images/mine/3da8) | Crystal structure of PurN from Mycobacterium tuberculosis | Descriptor: | BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-05-28 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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5FAO
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![BU of 5fao by Molmil](/molmil-images/mine/5fao) | CTX-M-15 in complex with FPI-1465 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5E4A
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![BU of 5e4a by Molmil](/molmil-images/mine/5e4a) | Human transthyretin (TTR) complexed with (2,7-Dichloro-fluoren-9-ylideneaminooxy)-acetic acid. | Descriptor: | Transthyretin, {[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2015-10-05 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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6R0C
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![BU of 6r0c by Molmil](/molmil-images/mine/6r0c) | Human-D02 Nucleosome Core Particle with biotin-streptavidin label | Descriptor: | DNA (142-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ... | Authors: | Pye, V.E, Wilson, M.D, Cherepanov, P, Costa, A. | Deposit date: | 2019-03-12 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer. Nat Commun, 10, 2019
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1JLL
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![BU of 1jll by Molmil](/molmil-images/mine/1jll) | Crystal Structure Analysis of the E197betaA Mutant of E. coli SCS | Descriptor: | COENZYME A, PHOSPHATE ION, SULFATE ION, ... | Authors: | Fraser, M.E. | Deposit date: | 2001-07-16 | Release date: | 2002-01-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Two glutamate residues, Glu 208 alpha and Glu 197 beta, are crucial for phosphorylation and dephosphorylation of the active-site histidine residue in succinyl-CoA synthetase. Biochemistry, 41, 2002
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8URH
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![BU of 8urh by Molmil](/molmil-images/mine/8urh) | Escherichia coli transcription-translation coupled complex class B (TTC-B) containing RfaH bound to ops signal, mRNA with a 27 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | Authors: | Molodtsov, V, Wang, C, Ebright, R.H. | Deposit date: | 2023-10-26 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Escherichia coli transcription-translation coupled complex class A (TTC-A) containing RfaH bound to ops signal, mRNA with a 21 nt long spacer, and fMet-tRNAs in E-site and P-site of the ribosome Nat.Struct.Mol.Biol., 2024
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