5K5K
 
 | | Crystal structure of laccasse from Thermus thermophilus HB27 (ascorbic acid 10 min) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
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8F3C
 | | Cryo-EM consensus structure of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand | | Descriptor: | DNA (38-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | | Deposit date: | 2022-11-09 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
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8ETU
 | | Class2 of the INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8V83
 | | 60S ribosome biogenesis intermediate (Dbp10 pre-catalytic structure - Overall map) | | Descriptor: | 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | | Authors: | Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
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8ETW
 | | Class3 of INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8ETS
 | | Class1 of the INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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6UXQ
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-11-07 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
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5K06
 | | Recombinant bovine beta-lactoglobulin with uncleaved N-terminal methionine (rBlgB) | | Descriptor: | Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | | Deposit date: | 2016-05-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
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8EZG
 | | Monobody 12D1 bound to KRAS(G12D) | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Hattori, T, Glasser, E, Akkapeddi, P, Ketavarapu, G, Teng, K.W, Koide, A, Koide, S. | | Deposit date: | 2022-10-31 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Exploring switch II pocket conformation of KRAS(G12D) with mutant-selective monobody inhibitors.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8F0M
 | | Monobody 12D5 bound to KRAS(G12D) | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Hattori, T, Glasser, E, Akkapeddi, P, Ketavarapu, G, Teng, K.W, Koide, A, Koide, S. | | Deposit date: | 2022-11-03 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Exploring switch II pocket conformation of KRAS(G12D) with mutant-selective monobody inhibitors.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6SG4
 | | Structure of CDK2/cyclin A M246Q, S247EN | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2019-08-02 | | Release date: | 2021-01-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
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4YI7
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8V87
 | | 60S ribosome biogenesis intermediate (Dbp10 post-catalytic structure - Overall map) | | Descriptor: | 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 25S ribosomal RNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | | Authors: | Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
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8CIH
 | | Structure of FL CINP | | Descriptor: | Cyclin-dependent kinase 2-interacting protein, SODIUM ION | | Authors: | Foglizzo, M, Zeqiraj, E. | | Deposit date: | 2023-02-09 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
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5N2S
 | | Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution | | Descriptor: | 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, SULFATE ION, Soluble cytochrome b562,Adenosine receptor A1 | | Authors: | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2017-02-08 | | Release date: | 2017-07-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
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4YXA
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5N75
 | | 14-3-3 sigma in complex with TAZ pS89 peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | | Deposit date: | 2017-02-19 | | Release date: | 2017-07-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
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4YC6
 | | CDK1/CKS1 | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1 | | Authors: | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2015-02-19 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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7SA6
 | | fHbp mutant 2416 bound to Fab JAR5 | | Descriptor: | Factor H-binding protein 2416, JAR5 Heavy Chain, JAR5 Light Chain | | Authors: | Chesterman, C, Malito, E, Bottomley, M.J. | | Deposit date: | 2021-09-22 | | Release date: | 2022-10-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Active Learning for Rapid Design: An iterative AI approach for accelerated vaccine design that combines active machine learning and high-throughput experimental evaluation
To Be Published
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8C5I
 | | Cyanide dihydratase from Bacillus pumilus C1 variant - Q86R,H305K,H308K,H323K | | Descriptor: | Cyanide dihydratase | | Authors: | Mulelu, A.E, Reitz, J, van Rooyen, J, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T. | | Deposit date: | 2023-01-09 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
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9BWT
 | | human sodium chloride cotransporter NCC S344E in the phosphorylation state and in complex with hydrochlorothiazide | | Descriptor: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3 | | Authors: | Cao, E.H, Zhao, Y.X. | | Deposit date: | 2024-05-21 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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8OG4
 | | Exostosin-like 3 UDP complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, MANGANESE (II) ION, ... | | Authors: | Sammon, D, Hohenester, E. | | Deposit date: | 2023-03-18 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism of decision-making in glycosaminoglycan biosynthesis.
Nat Commun, 14, 2023
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6NES
 | | FAD-dependent monooxygenase TropB from T. stipitatus | | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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8P06
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-06-21 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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8EO2
 | | Lufaxin a bifunctional inhibitor of complement and coagulation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Andersen, J.F, Strayer, E.C. | | Deposit date: | 2022-10-01 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
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