7M7C
 
 | | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-27 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
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5W50
 | | Crystal structure of the segment, LIIKGI, from the RRM2 of TDP-43, residues 248-253 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Trinh, H, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2017-06-13 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic-level evidence for packing and positional amyloid polymorphism by segment from TDP-43 RRM2.
Nat. Struct. Mol. Biol., 25, 2018
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5W3S
 | | Cryo-electron microscopy structure of a TRPML3 ion channel | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Mucolipin-3 isoform 1, ... | | Authors: | Hirschi, M, Herzik, M.A, Wie, J, Suo, Y, Borschel, W.F, Ren, D, Lander, G.C, Lee, S.Y. | | Deposit date: | 2017-06-08 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Cryo-electron microscopy structure of the lysosomal calcium-permeable channel TRPML3.
Nature, 550, 2017
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6WHO
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHN
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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4O2P
 | | Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine | | Descriptor: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Richters, A, Rauh, D. | | Deposit date: | 2013-12-17 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma.
J.Med.Chem., 58, 2015
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6WHQ
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6QZ7
 | | Structure of MBP-Mcl-1 in complex with compound 8b | | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-11 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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3U61
 | | Structure of T4 Bacteriophage Clamp Loader Bound To Closed Clamp, DNA and ATP Analog and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA polymerase accessory protein 44, DNA polymerase accessory protein 62, ... | | Authors: | Kelch, B.A, Makino, D.L, O'Donnell, M, Kuriyan, J. | | Deposit date: | 2011-10-11 | | Release date: | 2012-01-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | How a DNA polymerase clamp loader opens a sliding clamp.
Science, 334, 2011
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5KU9
 | | Crystal structure of MCL1 with compound 1 | | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-07-13 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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1HUT
 | | THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER | | Descriptor: | ALPHA-Thrombin heavy chain, ALPHA-Thrombin light chain, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ... | | Authors: | Padmanabhan, K, Padmanabhan, K.P, Ferrara, J.D, Sadler, J.E, Tulinsky, A. | | Deposit date: | 1993-05-27 | | Release date: | 1994-06-22 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer.
J.Biol.Chem., 268, 1993
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6QXJ
 | | Structure of MBP-Mcl-1 in complex with compound 6a | | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-07 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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4O5P
 | | Crystal structure of an uncharacterized protein from Pseudomonas aeruginosa | | Descriptor: | Uncharacterized protein | | Authors: | Hu, H.D, Gao, Z.Q, Zhang, H, Dong, Y.H. | | Deposit date: | 2013-12-19 | | Release date: | 2014-08-13 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structure of the type VI secretion phospholipase effector Tle1 provides insight into its hydrolysis and membrane targeting.
Acta Crystallogr.,Sect.D, 70, 2014
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3U05
 | | Crystal structure of DB1804-D(CGCGAATTCGCG)2 complex | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole, MAGNESIUM ION | | Authors: | Wei, D.G, Neidle, S. | | Deposit date: | 2011-09-28 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
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5L8G
 | | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | | Deposit date: | 2016-06-07 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.974 Å) | | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
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7MQP
 | | E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | | Descriptor: | 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase, SULFATE ION | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-05-06 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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2G41
 | | Crystal structure of the complex of sheep signalling glycoprotein with chitin trimer at 3.0A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SIGNAL PROCESSING PROTEIN, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Srivastava, D.B, Ethayathulla, A.S, Kumar, J, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2006-02-21 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Carbohydrate binding properties and carbohydrate induced conformational switch in sheep secretory glycoprotein (SPS-40): crystal structures of four complexes of SPS-40 with chitin-like oligosaccharides
J.Struct.Biol., 158, 2007
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2Y25
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4OCS
 | | Crystal structure of human Fab CAP256-VRC26.10, a potent V1V2-directed HIV-1 neutralizing antibody | | Descriptor: | CAP256-VRC26.10 heavy chain, CAP256-VRC26.10 light chain | | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | | Deposit date: | 2014-01-09 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
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8GDJ
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8GDK
 | | Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151 | | Descriptor: | (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | | Deposit date: | 2023-03-06 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
To Be Published
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1HWW
 | | GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH SWAINSONINE | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | van den Elsen, J.M.H, Kuntz, D.A, Rose, D.R. | | Deposit date: | 2001-01-10 | | Release date: | 2002-01-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of Golgi alpha-mannosidase II: a target for inhibition of growth and metastasis of cancer cells.
EMBO J., 20, 2001
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7MNP
 | | Crystal Structure of the ZnF2 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP | | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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2XCQ
 | | The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | | Descriptor: | DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A | | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | Deposit date: | 2010-04-24 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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7MO0
 | | Crystal Structure of Nucleoporin NUP50 Ran-Binding Domain in Complex with Ran-GPPNHP | | Descriptor: | GTP-binding nuclear protein Ran, MAGNESIUM ION, Nuclear pore complex protein Nup50, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2022-06-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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