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8BJX
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Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-08
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.283 Å)
Cite:Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
To Be Published
8BKE
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Crystal structure of the Klebsiella phage KP34p57 capsular depolymerase
Descriptor: Uncharacterized protein 57
Authors:Berisio, R, Squeglia, F.
Deposit date:2022-11-09
Release date:2023-08-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Klebsiella phage KP34gp57 capsular depolymerase structure and function: from a serendipitous finding to the design of active mini-enzymes against K. pneumoniae.
Mbio, 14, 2023
8BKF
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Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (crystal M200T#o)
Descriptor: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ...
Authors:Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-09
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.221 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
8BKZ
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GroEL:GroES-ATP complex under continuous turnover conditions
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ...
Authors:Dhurandhar, M, Torino, S, Efremov, R.
Deposit date:2022-11-09
Release date:2023-08-09
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting.
Nat.Methods, 20, 2023
8BLW
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Vitamin B12 transporter BtuB1 with lipoprotein BtuG1 from B. theta
Descriptor: Vitamin B12 transporter BtuB1, YncE family protein, beta-D-galactopyranose
Authors:Silale, A, Abellon-Ruiz, J, van den Berg, B.
Deposit date:2022-11-10
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
8BMT
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Structure of GroEL:GroES-ATP complex plunge frozen 200 ms after reaction initiation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ...
Authors:Dhurandhar, M, Efremov, R, Torino, S.
Deposit date:2022-11-10
Release date:2023-08-09
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting.
Nat.Methods, 20, 2023
8BN3
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Yeast 80S, ES7s delta, eIF5A, Stm1 containing
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Dimitrova-Paternoga, L, Paternoga, H, Wilson, D.N.
Deposit date:2022-11-12
Release date:2024-01-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Evolving precision: rRNA expansion segment 7S modulates translation velocity and accuracy in eukaryal ribosomes.
Nucleic Acids Res., 52, 2024
8BN7
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CjCel5C endo-glucanase
Descriptor: Cellulase, putative, cel5C
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2022-11-13
Release date:2023-11-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
8BN8
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METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
Descriptor: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2022-11-13
Release date:2023-09-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
8BNR
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Escherichia coli anaerobic fatty acid beta oxidation trifunctional enzyme (anEcTFE) octameric complex
Descriptor: 3-ketoacyl-CoA thiolase FadI, Fatty acid oxidation complex subunit alpha
Authors:Sah-Teli, S.K, Pinkas, M, Novacek, J, Venkatesan, R.
Deposit date:2022-11-14
Release date:2023-05-17
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (10.3 Å)
Cite:Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes.
Structure, 31, 2023
8BO3
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian
Descriptor: 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain
Authors:Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
Deposit date:2022-11-14
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO4
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1
Descriptor: 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL
Authors:Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A.
Deposit date:2022-11-14
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO5
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3
Descriptor: 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ...
Authors:Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
Deposit date:2022-11-14
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO6
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2
Descriptor: (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ...
Authors:Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
Deposit date:2022-11-14
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO7
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ...
Authors:Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
Deposit date:2022-11-14
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BOE
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Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
8BON
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Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrocyclic peptide S1B3inL1, ...
Authors:Hurdiss, D.L.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8BOT
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BU of 8bot by Molmil
Cryo-EM structure of NHEJ supercomplex(trimer)
Descriptor: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (7.76 Å)
Cite:Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8BOV
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X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5
Descriptor: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ferraro, G, Tito, G, Merlino, A.
Deposit date:2022-11-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BOY
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BU of 8boy by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0
Descriptor: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ...
Authors:Ferraro, G, Tito, G, Merlino, A.
Deposit date:2022-11-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BP2
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2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
Authors:Bax, B.D, Morgan, H, Warren, A.J.
Deposit date:2022-11-15
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase.
Int J Mol Sci, 24, 2023
8BP8
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BU of 8bp8 by Molmil
SPA of Trypsin untreated Rotavirus TLP spike
Descriptor: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
Authors:Shah, P.N.M, Stuart, D.I.
Deposit date:2022-11-16
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
8BP9
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Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2)
Descriptor: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ...
Authors:Sciuk, A, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-16
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
8BPH
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BU of 8bph by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 3)
Descriptor: Lysozyme C, Ru2-(OH)8 cluster, SUCCINIC ACID
Authors:Teran, A, Merlino, A, Ferraro, G.
Deposit date:2022-11-16
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
8BPI
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BU of 8bpi by Molmil
Human Gamma-D crystallin R36S mutant after UV illumination
Descriptor: Gamma-crystallin D
Authors:Yorke, B.A, Hill, J.A.
Deposit date:2022-11-16
Release date:2023-11-29
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin.
Commun Chem, 7, 2024

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PDB entries from 2024-09-11

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