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PDB: 22297 results

8CR0
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BU of 8cr0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2023-03-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
8CHX
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BU of 8chx by Molmil
Structure and function of LolA from Vibrio cholerae
Descriptor: Outer-membrane lipoprotein carrier protein, ZINC ION
Authors:Jaiman, D, Nagampalli, R, Persson, K.
Deposit date:2023-02-08
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
8CR4
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BU of 8cr4 by Molmil
Crystal structure of recombinant LasBArtif from Pseudomonas aeruginosa AZPAE14816
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
5MMZ
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BU of 5mmz by Molmil
Structure of PRL-1 in complex with the Bateman domain of CNNM2
Descriptor: Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1
Authors:Gimenez-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-Orbea, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M.L, Martinez-Cruz, L.A.
Deposit date:2016-12-12
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
8CGM
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BU of 8cgm by Molmil
Structure of the lipoprotein transporter LolA from Porphyromonas gingivalis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FORMIC ACID, GLYCEROL, ...
Authors:Persson, K, Jaiman, D, Nagampalli, R.
Deposit date:2023-02-06
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
5MN4
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BU of 5mn4 by Molmil
S. aureus FtsZ 12-316 F138A GDP Open form (1FOf)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2016-12-12
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments.
MBio, 8, 2017
8CM1
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BU of 8cm1 by Molmil
Lol B - Localization of lipoprotein B from Vibrio cholera
Descriptor: Outer-membrane lipoprotein LolB
Authors:Jaiman, D, Persson, K.
Deposit date:2023-02-17
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023
5MMM
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BU of 5mmm by Molmil
Structure of the 70S chloroplast ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein 2, ...
Authors:Bieri, P, Leibundgut, M, Saurer, M, Boehringer, D, Ban, N.
Deposit date:2016-12-11
Release date:2017-01-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The complete structure of the chloroplast 70S ribosome in complex with translation factor pY.
EMBO J., 36, 2017
8CPH
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BU of 8cph by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form)
Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPI
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BU of 8cpi by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643
Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPJ
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BU of 8cpj by Molmil
Crystal structure of PPAR gamma (PPARG) in an inactive form
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
5MRG
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BU of 5mrg by Molmil
Solution structure of TDP-43 (residues 1-102)
Descriptor: TAR DNA-binding protein 43
Authors:Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F.E, Laurents, D.V.
Deposit date:2016-12-22
Release date:2017-06-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Point mutations in the N-terminal domain of transactive response DNA-binding protein 43 kDa (TDP-43) compromise its stability, dimerization, and functions.
J. Biol. Chem., 292, 2017
5MA3
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BU of 5ma3 by Molmil
GFP-binding DARPin fusion gc_R11
Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein, R11
Authors:Hansen, S, Stueber, J, Ernst, P, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5MSY
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BU of 5msy by Molmil
Glycoside hydrolase BT_1012
Descriptor: AMMONIA, Glycoside hydrolase, PHOSPHATE ION
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-06
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
7AE7
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BU of 7ae7 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form, with truncated ShVdcD (V59X)
Descriptor: Phenolic acid decarboxylase, Protein ShdD, SODIUM ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
7AE4
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BU of 7ae4 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
8C29
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BU of 8c29 by Molmil
Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Kopecny, D, Semchonok, D.A, Kouril, R.
Deposit date:2022-12-21
Release date:2023-07-26
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.785 Å)
Cite:Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Nat.Plants, 9, 2023
5MA5
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BU of 5ma5 by Molmil
GFP-binding DARPin fusion gc_K11
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Green fluorescent protein, ...
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
7AE5
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BU of 7ae5 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form
Descriptor: Phenolic acid decarboxylase, Protein ShdD, RUBIDIUM ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
5MCW
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BU of 5mcw by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2)
Descriptor: Cellular tumor antigen p53, DNA, FORMYL GROUP, ...
Authors:Golovenko, D, Rozenberg, H, Shakked, Z.
Deposit date:2016-11-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
8CG3
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BU of 8cg3 by Molmil
Structure of TDP-43 amyloid filament from type A FTLD-TDP (variant 1)
Descriptor: TAR DNA-binding protein 43
Authors:Arseni, D, Ryskeldi-Falcon, B.
Deposit date:2023-02-03
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:TDP-43 forms amyloid filaments with a distinct fold in type A FTLD-TDP.
Nature, 620, 2023
3VT0
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BU of 3vt0 by Molmil
Crystal structure of Ct1,3Gal43A in complex with lactose
Descriptor: GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
5MGV
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BU of 5mgv by Molmil
Kinetic and Structural Changes in HsmtPheRS, Induced by Pathogenic Mutations in Human FARS2
Descriptor: Phenylalanine--tRNA ligase, mitochondrial
Authors:Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M.
Deposit date:2016-11-22
Release date:2017-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2.
Protein Sci., 26, 2017
7A0S
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BU of 7a0s by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin I
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
5MQG
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BU of 5mqg by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP015
Descriptor: 1-(4-azanyl-3-methoxy-phenyl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017

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