4XST
 
 | | Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, SULFATE ION, ... | | Authors: | Menting, J.G, Lawrence, C.F, Kong, G.K.-W, Lawrence, M.C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
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1BUU
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2VWN
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-26 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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4X9R
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B | | Descriptor: | Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1 | | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | | Deposit date: | 2014-12-11 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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5U5H
 | | Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | | Descriptor: | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED | | Authors: | Bussiere, D, Shu, W. | | Deposit date: | 2016-12-06 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
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2VVC
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-05 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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1AK4
 | | HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID | | Descriptor: | CYCLOPHILIN A, HIV-1 CAPSID | | Authors: | Hill, C.P, Gamble, T.R, Vajdos, F.F, Worthylake, D.K, Sundquist, W.I. | | Deposit date: | 1997-05-28 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal structure of human cyclophilin A bound to the amino-terminal domain of HIV-1 capsid.
Cell(Cambridge,Mass.), 87, 1996
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6ZTN
 | | E. coli 70S-RNAP expressome complex in NusG-coupled state (42 nt intervening mRNA) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-16 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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6PFF
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid. | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.982 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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4XA8
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 | | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding | | Authors: | Handing, K.B, Gasiorowska, O.A, Shabalin, I.G, Cymborowski, M.T, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-12-12 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2.
to be published
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2JAA
 | | SeMet substituted Shigella Flexneri Ipad | | Descriptor: | INVASIN IPAD | | Authors: | Johnson, S, Roversi, P, Espina, M, Olive, A, Deane, J.E, Birket, S, Field, T, Picking, W.D, Blocker, A.J, Galyov, E.E, Picking, W.L, Lea, S.M. | | Deposit date: | 2006-11-24 | | Release date: | 2006-11-30 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd.
J.Biol.Chem., 282, 2007
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1AC7
 | | STRUCTURAL FEATURES OF THE DNA HAIRPIN D(ATCCTAGTTATAGGAT): THE FORMATION OF A G-A BASE PAIR IN THE LOOP, NMR, 10 STRUCTURES | | Descriptor: | DNA (5'-D(*AP*TP*CP*CP*TP*AP*GP*TP*TP*AP*TP*AP*GP*GP*AP*T)-3') | | Authors: | Van Dongen, M.J.P, Mooren, M.M.W, Willems, E.F.A, Van Der Marel, G.A, Van Boom, J.H, Wijmenga, S.S, Hilbers, C.W. | | Deposit date: | 1997-02-14 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural features of the DNA hairpin d(ATCCTA-GTTA-TAGGAT): formation of a G-A base pair in the loop.
Nucleic Acids Res., 25, 1997
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6NBH
 | | Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | | Deposit date: | 2018-12-07 | | Release date: | 2019-04-17 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
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175L
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4Y0G
 | | beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) | | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, GLYCEROL | | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | | Deposit date: | 2015-02-06 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
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6ZOY
 | | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Closed State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-22 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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4Y1L
 | | Ubc9 Homodimer The Missing Link in Poly-SUMO Chain Formation | | Descriptor: | RWD domain-containing protein 3, SUMO-conjugating enzyme UBC9 | | Authors: | Aileen, Y.A, Ambaye, N.D, Li, Y.J, Vega, R, Bzymek, K, Williams, J.C, Hu, W, Chen, Y. | | Deposit date: | 2015-02-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | RWD Domain as an E2 (Ubc9)-Interaction Module.
J.Biol.Chem., 290, 2015
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6ZTO
 | | E. coli 70S-RNAP expressome complex in uncoupled state 1 | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-23 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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6ZWV
 | | Cryo-EM structure of SARS-CoV-2 Spike Proteins on intact virions: 3 Closed RBDs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ke, Z, Qu, K, Nakane, T, Xiong, X, Cortese, M, Zila, V, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-05 | | Last modified: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and distributions of SARS-CoV-2 spike proteins on intact virions.
Nature, 588, 2020
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6FO2
 | | CryoEM structure of bovine cytochrome bc1 with no ligand bound | | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | | Deposit date: | 2018-02-05 | | Release date: | 2018-02-28 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery.
IUCrJ, 5, 2018
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1AGC
 | | ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION) | | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION) | | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1997-03-24 | | Release date: | 1997-06-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
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1RK5
 | | The D-aminoacylase mutant D366A in complex with 100mM CuCl2 | | Descriptor: | ACETATE ION, COPPER (II) ION, D-aminoacylase, ... | | Authors: | Lai, W.L, Chou, L.Y, Ting, C.Y, Tsai, Y.C, Liaw, S.H. | | Deposit date: | 2003-11-20 | | Release date: | 2004-04-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The functional role of the binuclear metal center in D-aminoacylase: one-metal activation and second-metal attenuation.
J.Biol.Chem., 279, 2004
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7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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2VWL
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-26 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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2YHO
 | | The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor | | Descriptor: | ACETATE ION, E3 UBIQUITIN-PROTEIN LIGASE MYLIP, UBIQUITIN-CONJUGATING ENZYME E2 D1, ... | | Authors: | Fairall, L, Goult, B.T, Millard, C.J, Tontonoz, P, Schwabe, J.W.R. | | Deposit date: | 2011-05-04 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Idol-Ube2D Complex Mediates Sterol-Dependent Degradation of the Ldl Receptor.
Genes Dev., 25, 2011
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