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8R7A
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BU of 8r7a by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein PWL2 with the HMA domain of OsHIPP43 from rice (Oryza sativa)
Descriptor: Os01g0507700 protein, Pwl2 protein
Authors:Zdrzalek, R, Banfield, M.J.
Deposit date:2023-11-24
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bioengineering a plant NLR immune receptor with a robust recognition interface towards a conserved fungal pathogen effector
To Be Published
8R6Q
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BU of 8r6q by Molmil
Co-crystal structure of PD-L1 with low molecular weight inhibitor
Descriptor: (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ...
Authors:Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J.
Deposit date:2023-11-22
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
8R6F
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BU of 8r6f by Molmil
CryoEM structure of wheat 40S ribosomal subunit, body domain
Descriptor: 30S ribosomal protein S11, chloroplastic, 30S ribosomal protein S4, ...
Authors:Kravchenko, O.V, Baymukhametov, T.N, Afonina, Z.A, Vasilenko, K.S.
Deposit date:2023-11-22
Release date:2023-12-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:High-Resolution Structure and Internal Mobility of a Plant 40S Ribosomal Subunit.
Int J Mol Sci, 24, 2023
8R67
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BU of 8r67 by Molmil
tubulin-cryptophycin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ...
Authors:Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E.
Deposit date:2023-11-21
Release date:2024-05-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
8R5V
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BU of 8r5v by Molmil
Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide
Descriptor: 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic
Authors:Dolot, R, Jastrzebska, K, Antonczyk, P.
Deposit date:2023-11-17
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of P-stereodefined morpholino dinucleoside-3',6'-thiophosphoramidates using unexpected activator.
To Be Published
8R5R
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BU of 8r5r by Molmil
Structure of apo TDO with a bound inhibitor
Descriptor: 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan
Authors:Wicki, M, Mac Sweeney, A.
Deposit date:2023-11-17
Release date:2024-01-17
Method:X-RAY DIFFRACTION (3.078 Å)
Cite:Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2
Biorxiv, 2024
8R5K
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BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
8R5J
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BU of 8r5j by Molmil
Crystal structure of MERS-CoV main protease
Descriptor: Non-structural protein 11
Authors:Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-11-16
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Crystal structure of MERS-CoV main protease
To Be Published
8R5D
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BU of 8r5d by Molmil
Crystal structure of human TRIM7 PRYSPRY domain
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, MALONIC ACID
Authors:Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-11-16
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human TRIM7 PRYSPRY domain
To Be Published
8R5C
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BU of 8r5c by Molmil
Crystal structure of human TRIM7 PRYSPRY domain bound to (2-(1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine
Descriptor: (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ...
Authors:Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-11-16
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human TRIM7 PRYSPRY domain
To Be Published
8R57
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BU of 8r57 by Molmil
CryoEM structure of wheat 40S ribosomal subunit, head domain
Descriptor: 40S ribosomal protein S12, 40S ribosomal protein S15, 40S ribosomal protein S16, ...
Authors:Kravchenko, O.V, Baymukhametov, T.N, Afonina, Z.A, Vasilenko, K.S.
Deposit date:2023-11-16
Release date:2023-12-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:High-Resolution Structure and Internal Mobility of a Plant 40S Ribosomal Subunit.
Int J Mol Sci, 24, 2023
8R56
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BU of 8r56 by Molmil
Crystal structure of GH31 family Sulfoquinovosidase BmSQase in covalent complex with SQ-aziridine (SQZ)
Descriptor: Glycosyl hydrolase, family 31, POTASSIUM ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-11-16
Release date:2024-05-08
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Detection of Sulfoquinovosidase Activity in Cell Lysates Using Activity-Based Probes.
Angew.Chem.Int.Ed.Engl., 63, 2024
8R4Z
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BU of 8r4z by Molmil
Crystal structure of alpha keto acid C-methyl-transferases MrsA native-form
Descriptor: 2-ketoarginine methyltransferase, MAGNESIUM ION
Authors:Gerhardt, S, Kemper, F, Andexer, J.N.
Deposit date:2023-11-15
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structures and protein engineering of the alpha-keto acid C-methyltransferases SgvM and MrsA for rational substrate transfer.
Chembiochem, 2024
8R4O
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BU of 8r4o by Molmil
Salt inducible kinase 3 in complex with inhibitor
Descriptor: 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
8R3Z
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BU of 8r3z by Molmil
Cryo-EM structure of the Asgard archaeal Argonaute HrAgo1 bound to a guide RNA
Descriptor: HrAgo1, MAGNESIUM ION, RNA (5'-R(P*UP*GP*AP*GP*GP*U*(MG))-3')
Authors:Finocchio, G, Swarts, D, Jinek, M.
Deposit date:2023-11-10
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:RNA-guided RNA silencing by an Asgard archaeal Argonaute.
Nat Commun, 15, 2024
8R2C
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BU of 8r2c by Molmil
Crystal structure of the Vint domain from Tetrahymena thermophila
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, von willebrand factor type A (VWA) domain was originally protein
Authors:Iwai, H, Beyer, H.M, Johannson, J.E, Li, M, Wlodawer, A.
Deposit date:2023-11-03
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of the Vint domain from Tetrahymena thermophila suggests a ligand-regulated cleavage mechanism by the HINT fold.
Febs Lett., 598, 2024
8R1T
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BU of 8r1t by Molmil
Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
8R1P
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BU of 8r1p by Molmil
Pim1 in complex with 6-bromobenzo[d]oxazol-2-amine and Pimtide
Descriptor: 4-(4-aminostyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
8R1N
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BU of 8r1n by Molmil
Pim1 in complex with 4-(4-hydroxyphenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-hydroxyphenethyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
8R1L
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BU of 8r1l by Molmil
Structure of avian H5N1 influenza A polymerase in complex with human ANP32B.
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2023-11-02
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation.
Nat Commun, 15, 2024
8R1J
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BU of 8r1j by Molmil
Structure of avian H5N1 influenza A polymerase dimer in complex with human ANP32B.
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2023-11-02
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation.
Nat Commun, 15, 2024
8R1G
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BU of 8r1g by Molmil
Dimeric ternary structure of E6AP-E6-p53
Descriptor: Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ...
Authors:Sandate, C.R, Chakrabory, D, Kater, L, Kempf, G, Thoma, N.H.
Deposit date:2023-11-01
Release date:2023-12-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
8R1F
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BU of 8r1f by Molmil
Monomeric E6AP-E6-p53 ternary complex
Descriptor: Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ...
Authors:Sandate, C.R, Chakraborty, D, Kater, L, Kempf, G, Thoma, N.H.
Deposit date:2023-11-01
Release date:2023-12-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
8R18
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BU of 8r18 by Molmil
Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
8R17
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Crystal structure of Neurospora crassa NADase with modified C-terminus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ...
Authors:Kallio, J.P, Ferrario, E, Ziegler, M.
Deposit date:2023-11-01
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024

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PDB entries from 2024-07-10

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