6FRV
| Structure of the catalytic domain of Aspergillus niger Glucoamylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucoamylase, ... | Authors: | Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S. | Deposit date: | 2018-02-16 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains. Acta Crystallogr D Struct Biol, 74, 2018
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7QLH
| Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213) | Descriptor: | PHOSPHATE ION, S-layer, SODIUM ION | Authors: | Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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6YT2
| Crystal Structure of human monoamine oxidase B in complex with Diphenylene iodonium (DPI) | Descriptor: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Iacovino, L.G, Reis, J, Mai, A, Mattevi, A, Binda, C. | Deposit date: | 2020-04-23 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Diphenylene Iodonium Is a Noncovalent MAO Inhibitor: A Biochemical and Structural Analysis. Chemmedchem, 15, 2020
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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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8AXW
| The structure of mouse AsterC (GramD1c) with Ezetimibe | Descriptor: | (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ... | Authors: | Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R. | Deposit date: | 2022-09-01 | Release date: | 2023-09-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake. Science, 382, 2023
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8RU8
| A crystal form of a human CDK2-CDK7 chimera | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2024-01-30 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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6QQX
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QR4
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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7QJL
| Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Levy, C, Katariya, M. | Deposit date: | 2021-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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8RUJ
| Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-30 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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5VB6
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6QR8
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6FSL
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6BXW
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8AYG
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8ARX
| Small molecular stabilizer for ERalpha and 14-3-3sigma (1074378) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-17 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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5UVB
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5EU5
| HLA Class I antigen | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-11-18 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen. J.Biol.Chem., 291, 2016
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6FLO
| Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei at 2.1 Angstrom resolution | Descriptor: | GLYCEROL, INOSINE, Protein kinase A regulatory subunit | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-01-26 | Release date: | 2019-08-14 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.13868666 Å) | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens. Elife, 12, 2024
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8AXY
| Staphylococcus aureus endonuclease IV orthorhombic crystal form | Descriptor: | FE (III) ION, Probable endonuclease 4, SULFATE ION, ... | Authors: | Rouvinski, A, Kirillov, S, Saper, M.A, Wiener, R, Isupov, M.N. | Deposit date: | 2022-09-01 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus To Be Published
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6ZIS
| Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M. | Deposit date: | 2020-06-26 | Release date: | 2020-07-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J.Med.Chem., 63, 2020
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8B2U
| Crystal structure of SUDV VP40 in complex with salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, Matrix protein VP40 | Authors: | Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S. | Deposit date: | 2022-09-14 | Release date: | 2023-09-27 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands. Acs Omega, 9, 2024
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8RUI
| Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking | Descriptor: | Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Silvestri, I, Marcia, M. | Deposit date: | 2024-01-30 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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6ZJ4
| apo-Trehalose transferase (apo-TreT) from Thermoproteus uzoniensis | Descriptor: | THIOCYANATE ION, Trehalose phosphorylase/synthase | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | Deposit date: | 2020-06-27 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars. Acs Catalysis, 10, 2020
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6QSE
| Crystal structure of Pizza6S in the presence of Anderson-Evans (TEW) | Descriptor: | 6-tungstotellurate(VI), Pizza6S | Authors: | Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D. | Deposit date: | 2019-02-20 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry. Chem.Commun.(Camb.), 56, 2020
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