6YC2
 
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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6YBZ
 | | Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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4XQA
 | | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462 | | Descriptor: | (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | | Authors: | Stehle, T, Liaci, A.M. | | Deposit date: | 2015-01-19 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4072 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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6YC3
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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8AG2
 | | Crystal structure of the BPTF bromodomain in complex with BI-7190 | | Descriptor: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.025 Å) | | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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4XQB
 | | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461 | | Descriptor: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | | Authors: | Stehle, T, Liaci, A.M. | | Deposit date: | 2015-01-19 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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8AFC
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | | Descriptor: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2022-07-16 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.41 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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8AFB
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2022-07-16 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 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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8AFD
 | | CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | | Descriptor: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2022-07-16 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.633 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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1ADG
 | | CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | | Descriptor: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | | Deposit date: | 1993-10-18 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
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5JUI
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1ADF
 | | CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | | Descriptor: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | | Deposit date: | 1993-10-18 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
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1FMO
 | | CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE | | Descriptor: | ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN | | Authors: | Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H. | | Deposit date: | 1997-07-08 | | Release date: | 1998-01-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine.
Biochemistry, 36, 1997
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8AHC
 | | Crystal structure of the BRD9 bromodomain with BI-7189 | | Descriptor: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | | Authors: | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | | Deposit date: | 2022-07-21 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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1AQN
 | | SUBTILISIN MUTANT 8324 | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN 8324, ... | | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | | Deposit date: | 1997-07-31 | | Release date: | 1998-01-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stabilityfor subtilisin BPN' through incremental changes in the free energy of unfolding
To be published
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5JVH
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5WLR
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6ZDW
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3CBH
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2XYC
 | | CRYSTAL STRUCTURE OF NCAM2 IGIV-FN3I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NEURAL CELL ADHESION MOLECULE 2, ... | | Authors: | Kulahin, N, Rasmussen, K.K, Kristensen, O, Berezin, V, Bock, E, Walmod, P.S, Gajhede, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-02-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural Model and Trans-Interaction of the Entire Ectodomain of the Olfactory Cell Adhesion Molecule.
Structure, 19, 2011
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | 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: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-08 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZRV
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | | 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,Envelope glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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8B9X
 | | Chimeric protein of human UFM1 E3 ligase, UFL1, and DDRGK1 | | Descriptor: | CHLORIDE ION, DDRGK domain-containing protein 1,E3 UFM1-protein ligase 1 | | Authors: | Wiener, R, Isupov, M, banerjee, S. | | Deposit date: | 2022-10-10 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.066 Å) | | Cite: | Structural study of UFL1-UFC1 interaction uncovers the role of UFL1 N-terminal helix in ufmylation.
Embo Rep., 24, 2023
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8BT3
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