7VDP
 
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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5IYY
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-4 ligand. | | Descriptor: | Neuropilin-1, N~2~-[(benzyloxy)carbonyl]-L-arginine | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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3LAS
 | | Crystal structure of carbonic anhydrase from streptococcus mutans to 1.4 angstrom resolution | | Descriptor: | GLYCEROL, GUANIDINE, MAGNESIUM ION, ... | | Authors: | Ma, L.-L, Wang, K.-T, Liu, X, Su, X.-D. | | Deposit date: | 2010-01-07 | | Release date: | 2011-01-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of carbonic anhydrase from streptococcus mutans to 1.4 angstrom resolution
To be published
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8B0W
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8IY5
 | | ETB-Gi complex bound to endothelin-1 | | Descriptor: | Endothelin type B receptor, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2023-04-04 | | Release date: | 2023-08-16 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structure of the endothelin-1-ET B -G i complex.
Elife, 12, 2023
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8B0Z
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8OXC
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PI | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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9CPH
 | | Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation | | Descriptor: | Bcl-2 homologous antagonist/killer, Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic antibody, ... | | Authors: | Uchikawa, E, Myasnikov, A, Dey, R, Moldoveanu, T. | | Deposit date: | 2024-07-18 | | Release date: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural basis of BAK sequestration by MCL-1 in apoptosis.
Mol.Cell, 85, 2025
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8FK5
 | | Cryo-EM Structure of PG9RSH DU011 Fab in complex with BG505 DS-SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2022-12-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Improved HIV-1 neutralization breadth and potency of V2-apex antibodies by in silico design.
Cell Rep, 42, 2023
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8FL1
 | | Cryo-EM Structure of PG9RSH DU025 Fab in complex with BG505 DS-SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2022-12-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Improved HIV-1 neutralization breadth and potency of V2-apex antibodies by in silico design.
Cell Rep, 42, 2023
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9G5I
 | | Cryo-EM structure of a 2:1 ALK:ALKAL2 complex obtained after re-processing of EMPIAR-10930 data | | Descriptor: | ALK and LTK ligand 2, ALK tyrosine kinase receptor | | Authors: | Felix, J, De Munck, S, Bazan, J.F, Savvides, S.N. | | Deposit date: | 2024-07-17 | | Release date: | 2025-03-12 | | Last modified: | 2025-04-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Reanalysis of cryo-EM data reveals ALK-cytokine assemblies with both 2:1 and 2:2 stoichiometries.
Plos Biol., 23, 2025
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5J0D
 | | Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound | | Descriptor: | 1,2-ETHANEDIOL, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, CREB-binding protein | | Authors: | Tallant, C, Popp, T.A, Fedorov, O, Siejka, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-28 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.
J.Med.Chem., 59, 2016
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8RB6
 | | Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A | | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ... | | Authors: | Frydenvang, K, Mirza, O.A. | | Deposit date: | 2023-12-03 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
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8UCC
 | | IRAK4 in complex with compound 20 | | Descriptor: | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Metrick, C.M, Chodaparambil, J.V. | | Deposit date: | 2023-09-26 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke.
J.Med.Chem., 67, 2024
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5B89
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5B06
 | | Lysozyme (denatured by NaOD and refolded) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Kita, A, Morimoto, Y. | | Deposit date: | 2015-10-28 | | Release date: | 2016-01-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Effective Deuterium Exchange Method for Neutron Crystal Structure Analysis with Unfolding-Refolding Processes
Mol Biotechnol., 58, 2016
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7VB9
 | | Rba sphaeroides PufY-KO RC-LH1 dimer type-2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | | Deposit date: | 2021-08-30 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
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8AAU
 | | LIM Domain Kinase 1 (LIMK1) bound to LIMKi3 | | Descriptor: | 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ... | | Authors: | Mathea, S, Salah, E, Hanke, T, Knapp, S. | | Deposit date: | 2022-07-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
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3LP6
 | | Crystal Structure of Rv3275c-E60A from Mycobacterium tuberculosis at 1.7A resolution | | Descriptor: | FORMIC ACID, GLYCEROL, Phosphoribosylaminoimidazole carboxylase catalytic subunit | | Authors: | Kim, H, Yu, M, Hung, L.-W, Terwilliger, T.C, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-02-04 | | Release date: | 2010-06-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Crystal Structure of Rv3275c-E60A from Mycobacterium tuberculosis at 1.7A
Resolution
To be Published
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8TX0
 | | IRAK4 in complex with compound | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ... | | Authors: | Metrick, C.M, Chodaparambil, J.V. | | Deposit date: | 2023-08-21 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation.
J.Med.Chem., 67, 2024
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5J7A
 | | Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | Authors: | Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J. | | Deposit date: | 2016-04-06 | | Release date: | 2016-08-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
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7NPZ
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5N7F
 | | MAGI-1 complexed with a pRSK1 peptide | | Descriptor: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | | Authors: | Gogl, G, Nyitray, L. | | Deposit date: | 2017-02-20 | | Release date: | 2017-11-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dynamic control of RSK complexes by phosphoswitch-based regulation.
FEBS J., 285, 2018
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6TZH
 | | ADC-7 in complex with boronic acid transition state inhibitor S06015 | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | | Deposit date: | 2019-08-12 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.04 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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6DOP
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