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Legacy flatfile-incompatible PDB entries
7Q8L
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BU of 7q8l by Molmil
Peptide VPCGTAHE in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8M
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Peptide KPKKKTK in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, GLYCEROL, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8N
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Peptide KKYDAFLA in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8O
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Peptide LLSGKE in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8P
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Peptide LLKVAL in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8Q
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Peptide RLSAKP in complex with human cathepsin V C25S mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q91
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Crystal Structure of Agrobacterium tumefaciens NADQ, native form.
Descriptor: NADQ transcription factor, SODIUM ION
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7Q92
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Crystal Structure of Agrobacterium tumefaciens NADQ, ATP complex.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, NADQ transcription factor, POTASSIUM ION, ...
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7Q93
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Crystal Structure of Agrobacterium tumefaciens NADQ, NAD complex.
Descriptor: GLYCEROL, NADQ transcription factor, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7Q9B
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BU of 7q9b by Molmil
MHC Class I A02 Allele presenting EAAGIGILTV, in complex with Mel8 TCR
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, ...
Authors:Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
Deposit date:2021-11-12
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
7Q9C
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BU of 7q9c by Molmil
Peptide RLSAKP in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q9H
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BU of 7q9h by Molmil
Peptide LLKAVAEKQ in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q9Q
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BU of 7q9q by Molmil
Crystal structure of PDE6D Geranylgeranylated cystein complex
Descriptor: 1,2-ETHANEDIOL, GERAN-8-YL GERAN, O-METHYLCYSTEINE, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-11-14
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9R
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BU of 7q9r by Molmil
Cocrystal structure of PDE6D bound to NRAS peptide
Descriptor: 1,2-ETHANEDIOL, FARNESYL, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-11-14
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9S
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BU of 7q9s by Molmil
Crystal structure of PDE6D KRas peptide complex with Compound-1
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine, DIMETHYL SULFOXIDE, ...
Authors:Yelland, T, Ismail, S.
Deposit date:2021-11-14
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9U
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BU of 7q9u by Molmil
Crystal structure of the high affinity KRas mutant PDE6D complex
Descriptor: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
Authors:Yelland, T, Ismail, I.
Deposit date:2021-11-14
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9X
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BU of 7q9x by Molmil
Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct
Descriptor: (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct.
To Be Published
7Q9Z
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BU of 7q9z by Molmil
Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct
Descriptor: (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct.
To Be Published
7QAN
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BU of 7qan by Molmil
Cytochrome P450 Enzyme AbyV
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Parnell, A.E, Back, C.R, Race, P.R.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
7QAR
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BU of 7qar by Molmil
Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature
Descriptor: (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase
Authors:Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A.
Deposit date:2021-11-17
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
7QB1
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BU of 7qb1 by Molmil
PPARg in complex with inhibitor
Descriptor: 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Petersen, J.
Deposit date:2021-11-17
Release date:2022-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation.
Acs Med.Chem.Lett., 13, 2022
7QB5
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BU of 7qb5 by Molmil
Coxsackievirus A24v (CVA24v) in complex with a dimeric C2-C9-linked sialic acid inhibitor
Descriptor: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2021-11-18
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.728 Å)
Cite:Exploring divalent conjugates of 5- N -acetyl-neuraminic acid as inhibitors of coxsackievirus A24 variant (CVA24v) transduction.
Rsc Adv, 12, 2022
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.223 Å)
Cite:Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
7QC6
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BU of 7qc6 by Molmil
HisF_C9A_L50H_I52H mutant (apo) from T. maritima
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Imidazole glycerol phosphate synthase subunit HisF
Authors:Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
Deposit date:2021-11-22
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
7QC7
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BU of 7qc7 by Molmil
HisF-C9A-D11E-V33A_L50H_I52H mutant (apo) from T. maritima
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Imidazole glycerol phosphate synthase subunit HisF
Authors:Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
Deposit date:2021-11-22
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022

222415

数据于2024-07-10公开中

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