2Y82
 
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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2Y81
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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2YIX
 | | Triazolopyridine Inhibitors of p38 | | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | | Deposit date: | 2011-05-17 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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2Y80
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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2YSE
 | | Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1 | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | | Authors: | Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-03 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
To be Published
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6ZX9
 | | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) | | Descriptor: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ... | | Authors: | Schwefel, D, Banchenko, S. | | Deposit date: | 2020-07-29 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.519729 Å) | | Cite: | Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses.
Plos Pathog., 17, 2021
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7APK
 | | Structure of the human THO - UAP56 complex | | Descriptor: | Spliceosome RNA helicase DDX39B, THO complex subunit 1, THO complex subunit 2, ... | | Authors: | Hohmann, U, Puehringer, T, Plaschka, C. | | Deposit date: | 2020-10-17 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the human core transcription-export complex reveals a hub for multivalent interactions.
Elife, 9, 2020
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7B5Q
 | | Cryo-EM structure of the human CAK bound to ICEC0942 (PHENIX-OPLS3e) | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
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7B5O
 | | Cryo-EM structure of the human CAK bound to ICEC0942 at 2.5 Angstroms resolution | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
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7DHT
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5K7K
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7X3U
 | | cryo-EM structure of human TRiC-ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-01 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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7X3J
 | | Cryo-EM structure of human TRiC-tubulin-S2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-01 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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7X6Q
 | | cryo-EM structure of human TRiC-ATP-closed state | | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-08 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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7X7Y
 | | Cryo-EM structure of Human TRiC-ATP-open state | | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2022-03-10 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
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5K28
 | | Structure of the unbound SH3 domain of MLK3 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 11 | | Authors: | Kall, S.K, Lavie, A. | | Deposit date: | 2016-05-18 | | Release date: | 2017-12-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3.
J. Biol. Chem., 293, 2018
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7YFY
 | | Cryo-EM structure of the Mili-piRNA- target ternary complex | | Descriptor: | MAGNESIUM ION, Piwi-like protein 2, RNA (5'-R(P*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ... | | Authors: | Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z. | | Deposit date: | 2022-07-09 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
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7XVI
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7XVK
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5K1B
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5KCE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-06 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5K26
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7Y3A
 | | Crystal structure of TRIM7 bound to 2C | | Descriptor: | E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-2C | | Authors: | Dong, C, Yan, X. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Y3B
 | | Crystal structure of TRIM7 bound to GN1 | | Descriptor: | E3 ubiquitin-protein ligase TRIM7,TRIM7-GN1 | | Authors: | Dong, C, Yan, X. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Y3C
 | | Crystal structure of TRIM7 bound to RACO-1 | | Descriptor: | E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-RACO-1 | | Authors: | Dong, C, Yan, X. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
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