7OAG
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![BU of 7oag by Molmil](/molmil-images/mine/7oag) | Cryo-EM structure of the plectasin fibril (single strand) | Descriptor: | Fungal defensin plectasin | Authors: | Effantin, G. | Deposit date: | 2021-04-19 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils. Nat Commun, 13, 2022
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5K6Z
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![BU of 5k6z by Molmil](/molmil-images/mine/5k6z) | Sidekick chimera containing sidekick-2 immunoglobulin domains 1-2 and sidekick-1 immunoglobulin domains 3-4 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2016-05-25 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of sidekick-mediated cell-cell adhesion and specificity. Elife, 5, 2016
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5G5V
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![BU of 5g5v by Molmil](/molmil-images/mine/5g5v) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 | Descriptor: | (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-06 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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5G40
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![BU of 5g40 by Molmil](/molmil-images/mine/5g40) | Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ... | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | Deposit date: | 2016-05-03 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis. Science, 355, 2017
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5FAX
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![BU of 5fax by Molmil](/molmil-images/mine/5fax) | |
5G0S
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![BU of 5g0s by Molmil](/molmil-images/mine/5g0s) | InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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7OJ2
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![BU of 7oj2 by Molmil](/molmil-images/mine/7oj2) | Bacillus subtilis IMPDH in complex with Ap4A | Descriptor: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION | Authors: | Giammarinaro, P.I, Bange, G. | Deposit date: | 2021-05-13 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis. Nat Microbiol, 7, 2022
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7OJ1
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![BU of 7oj1 by Molmil](/molmil-images/mine/7oj1) | Bacillus subtilis IMPDH in complex with Ap4A | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION | Authors: | Giammarinaro, P.I, Bange, G. | Deposit date: | 2021-05-13 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis. Nat Microbiol, 7, 2022
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7NXX
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![BU of 7nxx by Molmil](/molmil-images/mine/7nxx) | Structure of Superoxide Dismutase 1 (SOD1) in complex with nanobody 2 (Nb2). | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... | Authors: | Gallardo, R, Rousseau, F, Schymkowitz, J, Ulens, C. | Deposit date: | 2021-03-19 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Identification and rational improvement of a nanobody that suppresses aggregation of mutant SOD1 To Be Published
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5ESP
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![BU of 5esp by Molmil](/molmil-images/mine/5esp) | |
5K6W
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![BU of 5k6w by Molmil](/molmil-images/mine/5k6w) | Sidekick-1 immunoglobulin domains 1-5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2016-05-25 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular basis of sidekick-mediated cell-cell adhesion and specificity. Elife, 5, 2016
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2YQ8
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![BU of 2yq8 by Molmil](/molmil-images/mine/2yq8) | |
5F3I
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![BU of 5f3i by Molmil](/molmil-images/mine/5f3i) | Crystal structure of human KDM4A in complex with compound 54j | Descriptor: | 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, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | Deposit date: | 2015-12-02 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F5C
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![BU of 5f5c by Molmil](/molmil-images/mine/5f5c) | Crystal Structure of human JMJD2D complexed with KDOPP7 | Descriptor: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-04 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5KHQ
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![BU of 5khq by Molmil](/molmil-images/mine/5khq) | Rasip1 RA domain | Descriptor: | GLYCEROL, Ras-interacting protein 1 | Authors: | Gingras, A.R. | Deposit date: | 2016-06-15 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Dimeric Rasip1 RA Domain Recognition of the Ras Subfamily of GTP-Binding Proteins. Structure, 24, 2016
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2YHT
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![BU of 2yht by Molmil](/molmil-images/mine/2yht) | |
5GVP
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![BU of 5gvp by Molmil](/molmil-images/mine/5gvp) | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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2BMW
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![BU of 2bmw by Molmil](/molmil-images/mine/2bmw) | Ferredoxin: NADP+ Reductase Mutant With Thr 155 Replaced By Gly, Ala 160 Replaced By Thr, Leu 263 Replaced By Pro, Arg 264 Replaced By Pro and Gly 265 Replaced by Pro (T155G-A160T-L263P-R264P-G265P) | Descriptor: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Martinez-Julvez, M, Hermoso, J.A, Perez-Dorado, I, Medina, M, Tejero, J, Gomez-Moreno, C. | Deposit date: | 2005-03-16 | Release date: | 2006-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase. Biochemistry, 48, 2009
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5GKO
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2Y7G
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3BDM
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![BU of 3bdm by Molmil](/molmil-images/mine/3bdm) | yeast 20S proteasome:glidobactin A-complex | Descriptor: | (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Dudler, R, Kaiser, M. | Deposit date: | 2007-11-15 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism Nature, 452, 2008
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5K70
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![BU of 5k70 by Molmil](/molmil-images/mine/5k70) | Sidekick-2 immunoglobulin domains 1-4 H18R/N22S mutant | 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, PHOSPHATE ION, ... | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2016-05-25 | Release date: | 2016-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of sidekick-mediated cell-cell adhesion and specificity. Elife, 5, 2016
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5JOP
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![BU of 5jop by Molmil](/molmil-images/mine/5jop) | Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A | Descriptor: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | Authors: | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | Deposit date: | 2016-05-02 | Release date: | 2017-03-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | T cells control the generation of nanomolar-affinity anti-glycan antibodies. J. Clin. Invest., 127, 2017
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5FC4
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![BU of 5fc4 by Molmil](/molmil-images/mine/5fc4) | Mcl-1 complexed with small molecule inhibitor | Descriptor: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-12-14 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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3BHO
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![BU of 3bho by Molmil](/molmil-images/mine/3bho) | |