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6MIC
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BU of 6mic by Molmil
Crystal Structure of the C-terminal half of the Vibrio cholerae minor pilin TcpB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Toxin co-regulated pilus biosynthesis protein B
Authors:Kolappan, S, Craig, L.
Deposit date:2018-09-19
Release date:2019-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:TheVibrio choleraeminor pilin TcpB mediates uptake of the cholera toxin phage CTX phi.
J.Biol.Chem., 294, 2019
8U5G
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BU of 8u5g by Molmil
Crystal structure of the co-expressed SDS22:PP1:I3 complex
Descriptor: E3 ubiquitin-protein ligase PPP1R11, FE (III) ION, PHOSPHATE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2023-09-12
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The SDS22:PP1:I3 complex: SDS22 binding to PP1 loosens the active site metal to prime metal exchange.
J.Biol.Chem., 300, 2023
6MIK
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BU of 6mik by Molmil
Crystal structure of host-guest complex with PP hachimoji DNA
Descriptor: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase
Authors:Georgiadis, M.M.
Deposit date:2018-09-19
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
7MO1
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BU of 7mo1 by Molmil
Crystal Structure of the ZnF1 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
5TXY
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BU of 5txy by Molmil
Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase
Descriptor: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ...
Authors:Ren, B, Peat, T.S, Poulsen, S.-A.
Deposit date:2016-11-17
Release date:2017-08-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.206 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
8USE
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BU of 8use by Molmil
Crystal Structure of Kemp Eliminase HG649 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
7MP4
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BU of 7mp4 by Molmil
Crystal structure of Epiphyas postvittana antennal carboxylesterase 24
Descriptor: Carboxylesterase-24, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hamiaux, C, Carraher, C.
Deposit date:2021-05-04
Release date:2022-05-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure of an antennally-expressed carboxylesterase suggests lepidopteran odorant degrading enzymes are broadly tuned
Curr Res Insect Sci, 3, 2023
8QT8
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BU of 8qt8 by Molmil
Crystal structure of human Sirt2 in complex with a TNFa-Myr analogue TNFn-34
Descriptor: 3-dodecylsulfanylpropanoic acid, NAD-dependent protein deacetylase sirtuin-2, Peptide-based TNFa-Myr analogue TNFn-34, ...
Authors:Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
Deposit date:2023-10-12
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
8UZM
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BU of 8uzm by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (NADPH bound)
Descriptor: Betaine aldehyde dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (NADPH bound)
To be published
5TYA
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BU of 5tya by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5CDE
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BU of 5cde by Molmil
R372A mutant of Xaa-Pro dipeptidase from Xanthomonas campestris
Descriptor: Proline dipeptidase, SULFATE ION, ZINC ION
Authors:Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.
Deposit date:2015-07-03
Release date:2016-09-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:R372A mutant of Xaa-Pro dipeptidase from Xanthomonas campestris at 1.85 Angstrom resolution
To Be Published
7OXW
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BU of 7oxw by Molmil
CrabP2 mutant R30DK31D
Descriptor: ACETATE ION, Cellular retinoic acid-binding protein 2, SULFATE ION
Authors:Pastok, M.W, Basle, A, Endicott, J.A.
Deposit date:2021-06-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
8UB6
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BU of 8ub6 by Molmil
Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, LEA H62X, containing 3-methylhistidine at position 62
Descriptor: LEAST EVOLVED ANCESTOR (LEA) GFP-LIKE PROTEINS
Authors:Henderson, J.N, Mills, J.H.
Deposit date:2023-09-22
Release date:2023-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Capturing excited-state structural snapshots of evolutionary green-to-red photochromic fluorescent proteins.
Front Chem, 11, 2023
6MIG
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BU of 6mig by Molmil
Crystal structure of host-guest complex with PB hachimoji DNA
Descriptor: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), Gag-Pol polyprotein
Authors:Georgiadis, M.M.
Deposit date:2018-09-19
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
8K8I
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BU of 8k8i by Molmil
De novo design protein -N14
Descriptor: De novo design protein -N14
Authors:Wang, S, Liu, Y.
Deposit date:2023-07-30
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design protein -N14
To Be Published
8USI
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BU of 8usi by Molmil
Crystal Structure of Kemp Eliminase HG198 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8UZI
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BU of 8uzi by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (betaine bound)
Descriptor: Betaine aldehyde dehydrogenase, TRIMETHYL GLYCINE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (betaine bound)
To be published
5TZB
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BU of 5tzb by Molmil
Burkholderia sp. beta-aminopeptidase
Descriptor: CALCIUM ION, D-aminopeptidase
Authors:McGowan, S, Drinkwater, N, John, M, Dumsday, G.
Deposit date:2016-11-21
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Crystal structure of a beta-aminopeptidase from an Australian Burkholderia sp.
Acta Crystallogr F Struct Biol Commun, 73, 2017
8K8F
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BU of 8k8f by Molmil
De novo design protein -N7
Descriptor: De novo design protein N7, GLYCEROL
Authors:Wang, S, Liu, Y.
Deposit date:2023-07-29
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:De novo design protein -N7
To Be Published
7YDL
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BU of 7ydl by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex with N-imidazolyl-hexanoyl-L-phenylalanine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex with N-imidazolyl-hexanoyl-L-phenylalanine
To Be Published
5U0C
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BU of 5u0c by Molmil
Structure of Zika virus NS5 RNA polymerase domain
Descriptor: NS5 RNA polymerase domain, ZINC ION
Authors:Zhao, B, Du, F.
Deposit date:2016-11-23
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and function of the Zika virus full-length NS5 protein.
Nat Commun, 8, 2017
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
8V4R
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BU of 8v4r by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP and CoA from Candida albicans
Descriptor: ACETIC ACID, ADENOSINE MONOPHOSPHATE, Acetyl-coenzyme A synthetase 2, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-29
Release date:2023-12-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A single Leishmania adenylate forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 2024
8USL
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BU of 8usl by Molmil
Crystal Structure of Kemp Eliminase HG185 with bound transition state analogue, 280 K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8QT4
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BU of 8qt4 by Molmil
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+
Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
Deposit date:2023-10-12
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published

226707

数据于2024-10-30公开中

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