3AC2
 
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3AC8
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1EEF
 | | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG | | Descriptor: | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 2000-01-31 | | Release date: | 2000-02-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
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1T68
 | | Crystal structure of nitrophorin 2 complex with NO | | Descriptor: | NITRIC OXIDE, Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2004-05-05 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Conformational change and heme ruffling in nitrophorin 2, a nitric oxide carrier from kissing bug
To be Published
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3AD5
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3A7E
 | | Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol | | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Tsuji, E. | | Deposit date: | 2009-09-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
To be Published
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6LAC
 | | The structural basis of the beta-carbonic anhydrase CafD (C39A mutant) of the filamentous fungus Aspergillus fumigatus | | Descriptor: | Carbonic anhydrase, ZINC ION | | Authors: | Jiin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J. | | Deposit date: | 2019-11-12 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structural analysis of non-catalytic zinc binding site in the minor beta-carbonic anhydrase CafD
To be published
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5M4Y
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5X2U
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7QTG
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 | | Descriptor: | FE (II) ION, PlaO1, SULFATE ION | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7QTF
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate | | Descriptor: | ACETATE ION, MALONATE ION, PlaO1, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7QTD
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with iron and alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, FE (II) ION, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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5X2R
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7QTE
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with cobalt and succinate | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COBALT (II) ION, PlaO1, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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6P70
 | | X-ray crystal structure of bacterial RNA polymerase and pyrBI promoter complex | | Descriptor: | DNA (5'-D(*TP*AP*TP*AP*AP*TP*CP*GP*AP*TP*CP*TP*TP*TP*GP*CP*CP*GP*GP*G)-3'), DNA (5'-D(P*TP*CP*CP*CP*GP*GP*CP*AP*AP*AP*TP*TP*GP*TP*CP*CP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Shin, Y, Murakami, K.S. | | Deposit date: | 2019-06-04 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
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8QHE
 | | Crystal structure IR-09 | | Descriptor: | 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2023-09-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
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6XWW
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6IC1
 | | urate oxidase under 90 bar of krypton | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ... | | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | | Deposit date: | 2018-12-01 | | Release date: | 2019-12-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
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5OY0
 | | Structure of synechocystis photosystem I trimer at 2.5A resolution | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Nelson, N, Malavath, T, Caspy, I. | | Deposit date: | 2017-09-07 | | Release date: | 2018-02-21 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis.
Biochim. Biophys. Acta, 1859, 2018
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6XXA
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7YCC
 | | KRas G12C in complex with Compound 5c | | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Amano, Y. | | Deposit date: | 2022-07-01 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
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6RHZ
 | | Structure of a minimal photosystem I from a green alga | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Perez Boerema, A, Klaiman, D, Caspy, I, Netzer-El, S.Y, Amunts, A, Nelson, N. | | Deposit date: | 2019-04-23 | | Release date: | 2020-02-19 | | Last modified: | 2020-03-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of a minimal photosystem I from the green alga Dunaliella salina.
Nat.Plants, 6, 2020
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7XY8
 | | Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN) | | Descriptor: | Isoform 2 of Basigin, heavy chain, light chain | | Authors: | Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K. | | Deposit date: | 2022-06-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals.
J Oncol, 2022, 2022
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5X2T
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6EEC
 | | Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter captured by Corallopyronin | | Descriptor: | DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
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