4WF6
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![BU of 4wf6 by Molmil](/molmil-images/mine/4wf6) | Anthrax toxin lethal factor with bound small molecule inhibitor MK-31 | Descriptor: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ... | Authors: | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2014-09-12 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6521 Å) | Cite: | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates. J.Med.Chem., 58, 2015
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8F16
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![BU of 8f16 by Molmil](/molmil-images/mine/8f16) | Structure of the STUB1 TPR domain in complex with H203, an all-D Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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6DZL
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6A4U
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![BU of 6a4u by Molmil](/molmil-images/mine/6a4u) | The first crystal structure of crustacean ferritin that is a hybrid type of H and L ferritin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ferritin, ... | Authors: | Masuda, T, Mikami, B, Zang, J, Zhao, G. | Deposit date: | 2018-06-21 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | The first crystal structure of crustacean ferritin that is a hybrid type of H and L ferritin Protein Sci., 27, 2018
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8H5C
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![BU of 8h5c by Molmil](/molmil-images/mine/8h5c) | Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | Authors: | Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-10-12 | Release date: | 2023-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8STX
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6TVU
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![BU of 6tvu by Molmil](/molmil-images/mine/6tvu) | Structure of native gp41 derived peptide fusion inhibitor | Descriptor: | Env polyprotein (Fragment), Transmembrane protein gp41 | Authors: | Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B. | Deposit date: | 2020-01-10 | Release date: | 2021-01-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection. Chembiochem, 22, 2021
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6TVW
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![BU of 6tvw by Molmil](/molmil-images/mine/6tvw) | Structure of native gp41 derived peptide fusion inhibitor | Descriptor: | Envelope glycoprotein, Transmembrane protein gp41,Envelope glycoprotein gp160 | Authors: | Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B. | Deposit date: | 2020-01-10 | Release date: | 2021-01-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection. Chembiochem, 22, 2021
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6S2E
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6DZM
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4WML
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![BU of 4wml by Molmil](/molmil-images/mine/4wml) | Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P | Descriptor: | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1 | Authors: | Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P. | Deposit date: | 2014-10-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P To Be Published
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8H1I
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![BU of 8h1i by Molmil](/molmil-images/mine/8h1i) | Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cold shock-like protein CspC, ... | Authors: | Padmanabhan, B, Gopinatha, K, Mandal, M, Saranya, G, Sudhagar, B. | Deposit date: | 2022-10-03 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C To Be Published
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8EPX
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![BU of 8epx by Molmil](/molmil-images/mine/8epx) | Type IIS Restriction Endonuclease PaqCI, DNA bound | Descriptor: | CALCIUM ION, DNA 1a, DNA 1b, ... | Authors: | Kennedy, M.A, Stoddard, B.L. | Deposit date: | 2022-10-06 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structures, activity and mechanism of the Type IIS restriction endonuclease PaqCI. Nucleic Acids Res., 51, 2023
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6DZ2
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![BU of 6dz2 by Molmil](/molmil-images/mine/6dz2) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2018-07-02 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J. Med. Chem., 62, 2019
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6E0O
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![BU of 6e0o by Molmil](/molmil-images/mine/6e0o) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA | Descriptor: | MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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8EIM
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7SHJ
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4WLJ
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![BU of 4wlj by Molmil](/molmil-images/mine/4wlj) | High resolution crystal structure of human kynurenine aminotransferase-I in complex with aminooxyacetate | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Kynurenine--oxoglutarate transaminase 1 | Authors: | Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B. | Deposit date: | 2014-10-07 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | High resolution crystal structures of human kynurenine aminotransferase-I bound to PLP cofactor, and in complex with aminooxyacetate. Protein Sci., 26, 2017
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1ACA
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![BU of 1aca by Molmil](/molmil-images/mine/1aca) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN ACYL-COENZYME A BINDING PROTEIN AND PALMITOYL-COENZYME A | Descriptor: | ACYL-COENZYME A BINDING PROTEIN, COENZYME A, PALMITIC ACID | Authors: | Kragelund, B.B, Andersen, K.V, Madsen, J.C, Knudsen, J, Poulsen, F.M. | Deposit date: | 1992-11-17 | Release date: | 1994-01-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of the complex between acyl-coenzyme A binding protein and palmitoyl-coenzyme A. J.Mol.Biol., 230, 1993
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1AFC
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![BU of 1afc by Molmil](/molmil-images/mine/1afc) | STRUCTURAL STUDIES OF THE BINDING OF THE ANTI-ULCER DRUG SUCROSE OCTASULFATE TO ACIDIC FIBROBLAST GROWTH FACTOR | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR | Authors: | Zhu, X, Hsu, B.T, Rees, D.C. | Deposit date: | 1993-07-13 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of the binding of the anti-ulcer drug sucrose octasulfate to acidic fibroblast growth factor. Structure, 1, 1993
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1AFT
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![BU of 1aft by Molmil](/molmil-images/mine/1aft) | SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT, NMR, 26 STRUCTURES | Descriptor: | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE | Authors: | Laub, P.B, Fisher, A.L, Furst, G.T, Barwis, B.A, Hamann, C.S, Cooperman, B.S. | Deposit date: | 1997-03-13 | Release date: | 1997-05-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | NMR structure of an inhibitory R2 C-terminal peptide bound to mouse ribonucleotide reductase R1 subunit. Nat.Struct.Biol., 2, 1995
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6TZI
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![BU of 6tzi by Molmil](/molmil-images/mine/6tzi) | ADC-7 in complex with boronic acid transition state inhibitor PFC_001 | Descriptor: | Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
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189L
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4WEQ
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![BU of 4weq by Molmil](/molmil-images/mine/4weq) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-10 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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6RP9
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![BU of 6rp9 by Molmil](/molmil-images/mine/6rp9) | Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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