7M0K
 
 | | HPK1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Lesburg, C.A. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
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7M0L
 | | HPK1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Lesburg, C.A. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
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5MD5
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=0 | | Descriptor: | Capsid protein p24 | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5MDD
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=6 | | Descriptor: | Gag protein | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5WI5
 | | 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium. | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MAGNESIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
To Be Published
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8YHQ
 | | Cryo-EM structure of Saccharomyces cerevisiae bc1 complex in pyraclostrobin-bound state | | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate, (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate, ... | | Authors: | Ye, Y, Li, Z.W, Yang, G.F. | | Deposit date: | 2024-02-28 | | Release date: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Cryo-EM Structures Reveal the Unique Binding Modes of Metyltetraprole in Yeast and Porcine Cytochrome bc 1 Complex Enabling Rational Design of Inhibitors.
J.Am.Chem.Soc., 146, 2024
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9BOG
 | | Structural basis for adhesin secretion by the outer-membrane usher in type 1 pili | | Descriptor: | Outer membrane usher protein FimD, Protein FimF, Type 1 fimbria chaperone FimC, ... | | Authors: | Bitter, R.M, Zimmerman, M, Hultgren, S, Yuan, P. | | Deposit date: | 2024-05-03 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Structural basis for adhesin secretion by the outer-membrane usher in type 1 pili.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7LOD
 | | T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | | Descriptor: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | Deposit date: | 2021-02-10 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ZHN
 | | Crystal structure of TTBK1 in complex with AMG28 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-04-06 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
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9BJX
 | | GH5_4 endo-beta(1,3/1,4)-glucanase from Segatella copri | | Descriptor: | 1,2-ETHANEDIOL, Cellulase (Glycosyl hydrolase family 5) | | Authors: | Cordeiro, R.L, Golisch, B, Brumer, H, Van Petegem, F. | | Deposit date: | 2024-04-25 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The molecular basis of cereal mixed-linkage beta-glucan utilization by the human gut bacterium Segatella copri.
J.Biol.Chem., 300, 2024
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5MD1
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=5, twist=0 | | Descriptor: | Capsid protein p24 | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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6GQ3
 | | Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | | Deposit date: | 2018-06-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019
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6GQJ
 | | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18) | | Descriptor: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
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6VO3
 | | AMC009 SOSIP.v4.2 in complex with PGV04 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC009 SOSIP.v4.2 envelope glycoprotein gp120, ... | | Authors: | Cottrell, C.A, de Val, N, Ward, A.B. | | Deposit date: | 2020-01-29 | | Release date: | 2020-09-23 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Neutralizing Antibody Responses Induced by HIV-1 Envelope Glycoprotein SOSIP Trimers Derived from Elite Neutralizers.
J.Virol., 94, 2020
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8QLL
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8SYP
 | | Genomic CX3CR1 nucleosome | | Descriptor: | DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2023-05-25 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
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7TM6
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6GJK
 | | A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase | | Descriptor: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-16 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
Biochim Biophys Acta Gen Subj, 1863, 2019
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9IO7
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5MVZ
 | | Fab 4AB007 bound to Interleukin-1-beta | | Descriptor: | Fab 4AB007 H-chain, Fab 4AB007 L-chain, GLYCEROL, ... | | Authors: | Stark, W, Seibert, V. | | Deposit date: | 2017-01-17 | | Release date: | 2017-02-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of a novel, fully Human Fab binding to Interleukin 1-beta.
To Be Published
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5W8B
 | | Carbonic anhydrase II in complex with activating histamine pyridinium derivative | | Descriptor: | 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Bhatt, A, Ilies, M, McKenna, R. | | Deposit date: | 2017-06-21 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
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5MCX
 | | The structure of the mature HIV-1 CA hexamer in intact virus particles | | Descriptor: | Capsid protein p24 | | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-11-10 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5WDY
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8TBT
 | | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Jin, L, Padyana, A. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
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5MFZ
 | | Human Sirt6 in complex with small molecule UBCS40 | | Descriptor: | 1,2-ETHANEDIOL, 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-19 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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