6HK4
 
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6HD9
 | | Crystal structure of the potassium channel MtTMEM175 with rubidium | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, RUBIDIUM ION, ... | | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | | Deposit date: | 2018-08-17 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
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6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6HK7
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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8DEB
 | | Bacteroides fragilis carboxyspermidine dehydrogenase | | Descriptor: | Carboxyspermidine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | McFarlane, J.S, Bouchey, S, Dodd, J. | | Deposit date: | 2022-06-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Kinetic and structural characterization of carboxyspermidine dehydrogenase of polyamine biosynthesis.
J.Biol.Chem., 299, 2023
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1B9L
 | | 7,8-DIHYDRONEOPTERIN TRIPHOSPHATE EPIMERASE | | Descriptor: | PROTEIN (EPIMERASE) | | Authors: | Ploom, T, Haussmann, C, Hof, P, Steinbacher, S, Bacher, A, Richardson, J, Huber, R. | | Deposit date: | 1999-02-11 | | Release date: | 2000-02-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of 7,8-dihydroneopterin triphosphate epimerase.
Structure Fold.Des., 7, 1999
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6M63
 | | Crystal structure of a cAMP sensor G-Flamp1. | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein | | Authors: | Zhou, Z, Chen, S, Wang, L, Chu, J. | | Deposit date: | 2020-03-12 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
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7Z4W
 | | gp6/gp15/gp16 connector complex of bacteriophage SPP1 | | Descriptor: | Head completion protein gp15, Head completion protein gp16, Portal protein | | Authors: | Orlov, I, Roche, S, Tavares, P, Orlova, E.V. | | Deposit date: | 2022-03-05 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | CryoEM structure and assembly mechanism of a bacterial virus genome gatekeeper.
Nat Commun, 13, 2022
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6TMR
 | | Mokola virus glycoprotein, monomeric post-fusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, TERBIUM(III) ION | | Authors: | Belot, L, Roche, S, Legrand, P, Gaudin, Y, Albertini, A. | | Deposit date: | 2019-12-05 | | Release date: | 2020-02-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.893 Å) | | Cite: | Crystal structure of Mokola virus glycoprotein in its post-fusion conformation.
Plos Pathog., 16, 2020
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6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | Deposit date: | 2018-03-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
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8SZE
 | | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ... | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-05-29 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
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8SZD
 | | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution | | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ... | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-05-29 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
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8SL9
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ... | | Authors: | Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
To be published
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8TKN
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter | | Descriptor: | DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit | | Authors: | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | | Deposit date: | 2023-07-25 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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8TKM
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter | | Descriptor: | 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit | | Authors: | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | | Deposit date: | 2023-07-25 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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5Z90
 | | BRD4 Bromodomain 1 with an inhibitor | | Descriptor: | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Chen, S, Chen, H. | | Deposit date: | 2018-02-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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5Z9K
 | | BRD4 Bromodomain 1 with an inhibitor | | Descriptor: | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Chen, S, Chen, H. | | Deposit date: | 2018-02-03 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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5L9C
 | | Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Nemashkalov, V, Vakhrusheva, A, Tishchenko, S, Gabdulkhakov, A, Kravchenko, O, Gusakov, A, Sinisyn, A. | | Deposit date: | 2016-06-10 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose
to be published
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5Z8R
 | | BRD4 Bromodomain 1 with an inhibitor | | Descriptor: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Chen, S, Chen, H. | | Deposit date: | 2018-02-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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1AOK
 | | VIPOXIN COMPLEX | | Descriptor: | ACETATE ION, VIPOXIN COMPLEX | | Authors: | Perbandt, M, Wilson, J.C, Eschenburg, S, Betzel, C. | | Deposit date: | 1997-07-07 | | Release date: | 1998-01-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of vipoxin at 2.0 A: an example of regulation of a toxic function generated by molecular evolution.
FEBS Lett., 412, 1997
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5Z8G
 | | BRD4 Bromodomain 1 with an inhibitor | | Descriptor: | 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | | Authors: | Xiao, S, Chen, S, Chen, H. | | Deposit date: | 2018-01-31 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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4NFT
 | | Crystal structure of human lnkH2B-h2A.Z-Anp32e | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z | | Authors: | Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z. | | Deposit date: | 2013-11-01 | | Release date: | 2014-04-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
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5XUK
 | | Crystal structure of Helicobacter pylori holo-[acyl-carrier-protein] synthase (AcpS) in complex with coenzyme A | | Descriptor: | COENZYME A, Holo-[acyl-carrier-protein] synthase | | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | | Deposit date: | 2017-06-23 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
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4KQX
 | | Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor | | Descriptor: | HISTIDINE, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5XU7
 | | Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) | | Descriptor: | CHLORIDE ION, GLYCEROL, Holo-[acyl-carrier-protein] synthase | | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | | Deposit date: | 2017-06-22 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
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