6Y7Z
 
 | | Fragment KCL_914 in complex with MAP kinase p38-alpha | | Descriptor: | 1-(1-adamantyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment KCL_914 in complex with MAP kinase p38-alpha
To Be Published
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6Y85
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5JK6
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5IT1
 | | Streptomyces peucetius CYP105P2 complex with biphenyl compound | | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | | Authors: | Lee, C.W, Lee, J.H. | | Deposit date: | 2016-03-16 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Cytochrome P450 (CYP105P2) from Streptomyces peucetius and Its Conformational Changes in Response to Substrate Binding
Int J Mol Sci, 17, 2016
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7NFX
 | | Mammalian ribosome nascent chain complex with SRP and SRP receptor in early state A | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Jomaa, A, Lee, J.H, Shan, S, Ban, N. | | Deposit date: | 2021-02-08 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Receptor compaction and GTPase rearrangement drive SRP-mediated cotranslational protein translocation into the ER.
Sci Adv, 7, 2021
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5KEW
 | | Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt taurodeoxycholate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | Authors: | Tomchick, D.R, Orth, K, Rivera-Cancel, G. | | Deposit date: | 2016-06-10 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Bile salt receptor complex activates a pathogenic type III secretion system.
Elife, 5, 2016
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6Y7Y
 | | Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha | | Descriptor: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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5A1R
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6Y80
 | | Fragment KCL_916 in complex with MAP kinase p38-alpha | | Descriptor: | 1-(2-adamantylmethyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6Y81
 | | Fragment KCL_1088 in complex with MAP kinase p38-alpha | | Descriptor: | (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide, 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6HLS
 | | Yeast apo RNA polymerase I* | | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | Authors: | Tafur, L, Sadian, Y, Weis, F, Muller, C.W. | | Deposit date: | 2018-09-11 | | Release date: | 2019-04-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2.
Elife, 8, 2019
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8J07
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5L4K
 | | The human 26S proteasome lid | | Descriptor: | 26S proteasome complex subunit DSS1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Schweitzer, A, Aufderheide, A, Rudack, T, Beck, F. | | Deposit date: | 2016-05-25 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the human 26S proteasome at a resolution of 3.9 angstrom.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4HE8
 | | Crystal structure of the membrane domain of respiratory complex I from Thermus thermophilus | | Descriptor: | NADH-quinone oxidoreductase subunit 10, NADH-quinone oxidoreductase subunit 11, NADH-quinone oxidoreductase subunit 12, ... | | Authors: | Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2012-10-03 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the entire respiratory complex I.
Nature, 494, 2013
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4RSU
 | | Crystal structure of the light and hvem complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Liu, W, Ramagoal, U.A, Himmel, D, Bonanno, J.B, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-11-11 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160.
J.Exp.Med., 218, 2021
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5VFT
 | | Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated Human 26S Proteasome | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 12, ... | | Authors: | Zhu, Y, Wang, W.L, Yu, D, Ouyang, Q, Lu, Y, Mao, Y. | | Deposit date: | 2017-04-09 | | Release date: | 2018-07-18 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome.
Nat Commun, 9, 2018
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5VFQ
 | | Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated Human 26S Proteasome | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 12, ... | | Authors: | Zhu, Y, Wang, W.L, Yu, D, Ouyang, Q, Lu, Y, Mao, Y. | | Deposit date: | 2017-04-09 | | Release date: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome.
Nat Commun, 9, 2018
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5ECJ
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5GJR
 | | An atomic structure of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
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5H5U
 | | Mechanistic insights into the alternative translation termination by ArfA and RF2 | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Ma, C, Kurita, D, Li, N, Chen, Y, Himeno, H, Gao, N. | | Deposit date: | 2016-11-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Mechanistic insights into the alternative translation termination by ArfA and RF2
Nature, 541, 2017
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1NCQ
 | | The structure of HRV14 when complexed with pleconaril, an antiviral compound | | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, COAT PROTEIN VP1, COAT PROTEIN VP2, ... | | Authors: | Zhang, Y, Simpson, A.A, Bator, C.M, Chakravarty, S, Pevear, D.C, Skochko, G.A, Tull, T.M, Diana, G, Rossmann, M.G. | | Deposit date: | 2002-12-05 | | Release date: | 2003-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds
J.Virol., 78, 2004
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8XQW
 | | Cryo-EM structure of the Ycf2-FtsHi motor complex from Chlamydomonas reinhardtii in AMPPNP bound state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ... | | Authors: | Liang, K, Zhan, X, Wu, J, Yan, Z. | | Deposit date: | 2024-01-10 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae.
Cell, 2024
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8XQX
 | | Cryo-EM structure of the Ycf2-FtsHi motor complex from chlamydomonas reinhardtii in apo state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ... | | Authors: | Liang, K, Zhan, X, Wu, J, Yan, Z. | | Deposit date: | 2024-01-05 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae.
Cell, 2024
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4K5E
 | | Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-04-14 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4KKY
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