5AJA
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![BU of 5aja by Molmil](/molmil-images/mine/5aja) | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) | Descriptor: | PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ... | Authors: | Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | Deposit date: | 2015-02-20 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx. Cell Host Microbe., 17, 2015
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7QG9
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![BU of 7qg9 by Molmil](/molmil-images/mine/7qg9) | Tail tip of siphophage T5 : common core proteins | Descriptor: | Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ... | Authors: | Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | Deposit date: | 2021-12-07 | Release date: | 2022-12-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation. Sci Adv, 9, 2023
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2BP1
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![BU of 2bp1 by Molmil](/molmil-images/mine/2bp1) | Structure of the aflatoxin aldehyde reductase in complex with NADPH | Descriptor: | AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 2, CITRATE ANION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Debreczeni, J.E, Lukacik, P, Kavanagh, K, Dubinina, E, Bray, J, Colebrook, S, Haroniti, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Gileadi, O, Oppermann, U. | Deposit date: | 2005-04-17 | Release date: | 2005-05-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Aflatoxin Aldehyde Reductase in Complex with Nadph To be Published
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2YL2
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![BU of 2yl2 by Molmil](/molmil-images/mine/2yl2) | Crystal structure of human acetyl-CoA carboxylase 1, biotin carboxylase (BC) domain | Descriptor: | ACETYL-COA CARBOXYLASE 1 | Authors: | Muniz, J.R.C, Froese, D.S, Krysztofinska, E, Vollmar, M, Beltrami, A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Oppermann, U. | Deposit date: | 2011-05-31 | Release date: | 2011-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Acetyl-Coa Carboxylase 1, Biotin Carboxylase (Bc) Domain To be Published
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2BXH
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![BU of 2bxh by Molmil](/molmil-images/mine/2bxh) | Human serum albumin complexed with indoxyl sulfate | Descriptor: | 3-SULFOOXY-1H-INDOLE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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2WK3
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![BU of 2wk3 by Molmil](/molmil-images/mine/2wk3) | |
4GKR
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5FYV
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![BU of 5fyv by Molmil](/molmil-images/mine/5fyv) | Crystal structure of the catalytic domain of human JARID1B in complex with oxaloacetate | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-03-10 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Oxaloacetate To be Published
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5AKK
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![BU of 5akk by Molmil](/molmil-images/mine/5akk) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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2BXO
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![BU of 2bxo by Molmil](/molmil-images/mine/2bxo) | Human serum albumin complexed with myristate and oxyphenbutazone | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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7K81
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![BU of 7k81 by Molmil](/molmil-images/mine/7k81) | KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | Deposit date: | 2020-09-24 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
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2YCI
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![BU of 2yci by Molmil](/molmil-images/mine/2yci) | methyltransferase native | Descriptor: | 5-METHYLTETRAHYDROFOLATE CORRINOID/IRON SULFUR PROTEIN METHYLTRANSFERASE, SULFATE ION | Authors: | Goetzl, S, Jeoung, J.H, Hennig, S.E, Dobbek, H. | Deposit date: | 2011-03-16 | Release date: | 2011-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Basis for Electron and Methyl-Group Transfer in a Methyltransferase System Operating in the Reductive Acetyl-Coa Pathway J.Mol.Biol., 411, 2011
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4MWE
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![BU of 4mwe by Molmil](/molmil-images/mine/4mwe) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475) | Descriptor: | 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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5ACU
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![BU of 5acu by Molmil](/molmil-images/mine/5acu) | VIM-2-NAT, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening | Descriptor: | BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ... | Authors: | Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S. | Deposit date: | 2015-08-18 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening J.Med.Chem., 58, 2015
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4NAJ
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![BU of 4naj by Molmil](/molmil-images/mine/4naj) | Crystal Structure of Two-Domain Laccase from Streptomyces Lividans AC1709 in complex with azide after 90 min soaking | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, AZIDE ION, ... | Authors: | Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A. | Deposit date: | 2013-10-22 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Two-Domain Laccase from Streptomyces Lividans AC1709 in complex with azide after 90 min soaking To be Published
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2C0E
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![BU of 2c0e by Molmil](/molmil-images/mine/2c0e) | Structure of PDI-related Chaperone, Wind with his-tag on C-terminus. | Descriptor: | WINDBEUTEL PROTEIN | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | Deposit date: | 2005-09-01 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants. Acta Crystallogr.,Sect.D, 62, 2006
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7QG0
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![BU of 7qg0 by Molmil](/molmil-images/mine/7qg0) | Inhibitor-induced hSARM1 duplex | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Zalk, R, Kahzma, T, Guez-Haddad, J. | Deposit date: | 2021-12-07 | Release date: | 2022-12-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.02 Å) | Cite: | A duplex structure of SARM1 octamers stabilized by a new inhibitor. Cell.Mol.Life Sci., 80, 2022
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3E3Z
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![BU of 3e3z by Molmil](/molmil-images/mine/3e3z) | Crystal structure of bovine coupling Factor B bound with phenylarsine oxide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ... | Authors: | Stroud, R.M, Lee, J.K, Belogrudov, G.I. | Deposit date: | 2008-08-08 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of bovine mitochondrial factor B at 0.96-A resolution. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4MX2
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![BU of 4mx2 by Molmil](/molmil-images/mine/4mx2) | Crystal Structure of adenylosuccinate lyase from Leishmania donovani | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ... | Authors: | Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-25 | Release date: | 2014-04-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of adenylosuccinate lyase from Leishmania donovani To be Published
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4GLI
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![BU of 4gli by Molmil](/molmil-images/mine/4gli) | Crystal Structure of Human SMN YG-Dimer | Descriptor: | Maltose-binding periplasmic protein, Survival motor neuron protein chimera | Authors: | Martin, R.S, Perry, K, Van Duyne, G.D. | Deposit date: | 2012-08-14 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | The survival motor neuron protein forms soluble glycine zipper oligomers. Structure, 20, 2012
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7JZ2
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![BU of 7jz2 by Molmil](/molmil-images/mine/7jz2) | Succinate: quinone oxidoreductase SQR from E.coli K12 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W. | Deposit date: | 2020-09-01 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. Nat.Methods, 18, 2021
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7QHJ
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![BU of 7qhj by Molmil](/molmil-images/mine/7qhj) | Peptide GAKSAA in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-13 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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3E4G
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![BU of 3e4g by Molmil](/molmil-images/mine/3e4g) | Crystal structure of bovine coupling Factor B, G28E mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ... | Authors: | Stroud, R.M, Lee, J.K, Belogrudov, G.I. | Deposit date: | 2008-08-11 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Crystal structure of bovine mitochondrial factor B at 0.96-A resolution. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4NBH
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![BU of 4nbh by Molmil](/molmil-images/mine/4nbh) | Carbazole-bound Oxygenase with Gln282 replaced by Tyr and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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5EU1
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![BU of 5eu1 by Molmil](/molmil-images/mine/5eu1) | CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | Descriptor: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | Authors: | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2015-11-18 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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