1E80
 
 | | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD56133 | | Descriptor: | 4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide, ENDOTHIAPEPSIN | | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | | Deposit date: | 2000-09-15 | | Release date: | 2000-09-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases.
Ph D Thesis, 1999
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5TOY
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5VTH
 | | CTX-M-14 P167S:E166A mutant | | Descriptor: | Beta-lactamase | | Authors: | Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2017-05-17 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
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3DUI
 | | Crystal structure of the oxidized CG-1B: an adhesion/growth-regulatory lectin from chicken | | Descriptor: | BETA-MERCAPTOETHANOL, Beta-galactoside-binding lectin | | Authors: | Romero, A, Lopez-Lucendo, M.I.F, Solis, D, Gabius, H.-J. | | Deposit date: | 2008-07-17 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Homodimeric chicken galectin CG-1B (C-14): Crystal structure and detection of unique redox-dependent shape changes involving inter- and intrasubunit disulfide bridges by gel filtration, ultracentrifugation, site-directed mutagenesis, and peptide mass fingerprinting
J.Mol.Biol., 386, 2009
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3A0B
 | | Crystal structure of Br-substituted Photosystem II complex | | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ... | | Authors: | Kawakami, K, Umena, Y, Kamiya, N, Shen, J.-R. | | Deposit date: | 2009-03-16 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Proc.Natl.Acad.Sci.USA, 106, 2009
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3A0H
 | | Crystal structure of I-substituted Photosystem II complex | | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ... | | Authors: | Kawakami, K, Umena, Y, Kamiya, N, Shen, J.-R. | | Deposit date: | 2009-03-17 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Proc.Natl.Acad.Sci.USA, 106, 2009
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7LR3
 | | Complex of Fab 2/6.14 with domain 3 of P. berghei HAP2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D3_2/6.14 Fab heavy chain, D3_2/6.14 Fab light chain, ... | | Authors: | Feng, J, Dong, X.C, Lu, C.F, Springer, T.A. | | Deposit date: | 2021-02-15 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
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6WR1
 | | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | | Deposit date: | 2020-04-29 | | Release date: | 2021-05-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
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4V12
 | | Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAOC LIKE DOMAIN PROTEIN | | Authors: | Blaise, M. | | Deposit date: | 2014-09-23 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A New Dehydratase Conferring Innate Resistance to Thiacetazone and Intra-Amoebal Survival of Mycobacterium Smegmatis.
Mol.Microbiol., 96, 2015
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1P8H
 | | BACTERIORHODOPSIN M1 INTERMEDIATE PRODUCED AT ROOM TEMPERATURE | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | Authors: | Lanyi, J.K. | | Deposit date: | 2003-05-07 | | Release date: | 2003-07-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base
J.Mol.Biol., 330, 2003
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4WV7
 | | HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE | | Descriptor: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid, Heat shock 70 kDa protein 1A/1B | | Authors: | Kirby, C.A, Baird, J, Stams, T. | | Deposit date: | 2014-11-04 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The novolactone natural product disrupts the allosteric regulation of hsp70.
Chem.Biol., 22, 2015
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5JOP
 | | Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A | | Descriptor: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | | Authors: | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | | Deposit date: | 2016-05-02 | | Release date: | 2017-03-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
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4WH8
 | | Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog. | | Descriptor: | Genome polyprotein, SULFATE ION, ZINC ION, ... | | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | | Deposit date: | 2014-09-20 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
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1P8I
 | | F219L BACTERIORHODOPSIN MUTANT | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | Authors: | Lanyi, J.K. | | Deposit date: | 2003-05-07 | | Release date: | 2003-07-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base
J.Mol.Biol., 330, 2003
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5KAF
 | | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.00001 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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7UEB
 | | Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2) | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | | Authors: | Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L. | | Deposit date: | 2022-03-21 | | Release date: | 2022-10-05 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
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5KAI
 | | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.80000925 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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4IO9
 | | Crystal structure of compound 4d bound to large ribosomal subunit (50S) from Deinococcus radiodurans | | Descriptor: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-01-07 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
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4IOA
 | | Crystal structure of compound 4e bound to large ribosomal subunit (50S) from Deinococcus radiodurans | | Descriptor: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-01-07 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
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4IOC
 | | Crystal structure of compound 4f bound to large ribosomal subunit (50S) from Deinococcus radiodurans | | Descriptor: | (3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-01-07 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
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7UJD
 | | PSMD2 Structure bound to MC1 and Fab8/14 | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ... | | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | | Deposit date: | 2022-03-30 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
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1OXG
 | | Crystal structure of a complex formed between organic solvent treated bovine alpha-chymotrypsin and its autocatalytically produced highly potent 14-residue peptide at 2.2 resolution | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Singh, N, Jabeen, T, Sharma, S, Roy, I, Gupta, M.N, Bilgrami, S, Singh, T.P. | | Deposit date: | 2003-04-02 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Detection of native peptides as potent inhibitors of enzymes. Crystal structure of the complex formed between treated bovine alpha-chymotrypsin and an autocatalytically produced fragment, IIe-Val-Asn-Gly-Glu-Glu-Ala-Val-Pro-Gly-Ser-Trp-Pro-Trp, at 2.2 angstroms resolution.
Febs J., 272, 2005
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1P8U
 | | BACTERIORHODOPSIN N' INTERMEDIATE AT 1.62 A RESOLUTION | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | Authors: | Lanyi, J.K. | | Deposit date: | 2003-05-07 | | Release date: | 2003-07-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base
J.Mol.Biol., 330, 2003
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4KIN
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7MYJ
 | | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
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