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7D2D
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Crystal structure of Ixodes scapularis glutaminyl cyclase with a Mn ion bound to the active site
分子名称: Glutaminyl-peptide cyclotransferase, MANGANESE (II) ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-16
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1Y
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Crystal structure of Ixodes scapularis glutaminyl cyclase with two Co ions bound to the active site
分子名称: COBALT (II) ION, Glutaminyl-peptide cyclotransferase
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-15
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1P
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BU of 7d1p by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site
分子名称: BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-15
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D21
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BU of 7d21 by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-15
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1H
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BU of 7d1h by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation
分子名称: Glutaminyl-peptide cyclotransferase, ZINC ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-14
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
6Q0N
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BU of 6q0n by Molmil
Structure of the Erbin PDB domain in complex with a high-affinity peptide
分子名称: Erbin, peptide
著者Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S.
登録日2019-08-02
公開日2019-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
6CW7
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BU of 6cw7 by Molmil
E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-03-30
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CYV
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E. coli DHFR ternary complex with NADP and dihydrofolate
分子名称: DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-04-06
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CXK
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BU of 6cxk by Molmil
E. coli DHFR substrate complex with Dihydrofolate
分子名称: CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ...
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-04-03
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.108 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6DWV
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BU of 6dwv by Molmil
Crystal structure of the LigJ Hydratase in the Apo state
分子名称: 4-oxalomesaconate hydratase, ZINC ION
著者Mabanglo, M.F, Raushel, F.M.
登録日2018-06-28
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
6DXS
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BU of 6dxs by Molmil
Crystal structure of the LigJ hydratase E284Q mutant substrate complex with (3Z)-2-keto-4-carboxy-3-hexenedioate
分子名称: (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
著者Mabanglo, M.F, Raushel, F.M, Hogancamp, T.N.
登録日2018-06-29
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
5LYE
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BU of 5lye by Molmil
Re-refined structure of the bacteriophage T4 short tail fibre PDB entry 1H6W containing 71 additionally identified residues
分子名称: CHLORIDE ION, Gp12, SULFATE ION
著者van Raaij, M.J, Taylor, N.M.I, Leiman, P.G.
登録日2016-09-27
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contractile injection systems of bacteriophages and related systems.
Mol. Microbiol., 108, 2018
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
分子名称: Designed peptide BH33
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
分子名称: Designed peptide PH1
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
分子名称: Designed peptide BH21
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8TXS
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BU of 8txs by Molmil
Solution NMR structure of designed peptide BH26 (RGVTVPHNGESKDYSV)
分子名称: BH26 peptide
著者McShan, A.C, Torres, M.P.
登録日2023-08-24
公開日2023-09-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8CHG
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BU of 8chg by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction for dipolar truncation with PDB 2NUZ
分子名称: Spectrin alpha chain, non-erythrocytic 1
著者Soeldner, B.
登録日2023-02-08
公開日2023-03-08
実験手法SOLID-STATE NMR
主引用文献Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CF4
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BU of 8cf4 by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ
分子名称: Spectrin alpha chain, non-erythrocytic 1
著者Soeldner, B.
登録日2023-02-02
公開日2023-03-08
実験手法SOLID-STATE NMR
主引用文献Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CHH
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BU of 8chh by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction method for spin-diffusion with PDB 2NUZ as reference
分子名称: Spectrin alpha chain, non-erythrocytic 1
著者Soeldner, B.
登録日2023-02-08
公開日2023-03-08
実験手法SOLID-STATE NMR
主引用文献Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8DFZ
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BU of 8dfz by Molmil
NMR shows why a small chemical change almost abolishes the antimicrobial activity of GccF
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bacteriocin glycocin F
著者Harjes, E, Edwards, P.J.B, Norris, G.
登録日2022-06-23
公開日2023-07-05
最終更新日2023-09-13
実験手法SOLUTION NMR
主引用文献NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F.
Biochemistry, 62, 2023
5AES
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BU of 5aes by Molmil
Crystal Structure of murine Chronophin (Pyridoxal Phosphate Phosphatase) in Complex with a PNP-derived Inhibitor
分子名称: GLYCEROL, MAGNESIUM ION, PYRIDOXAL PHOSPHATE PHOSPHATASE, ...
著者Knobloch, G, Jabari, N, Koehn, M, Gohla, A, Schindelin, H.
登録日2015-01-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Synthesis of Hydrolysis-Resistant Pyridoxal 5'-Phosphate Analogs and Their Biochemical and X-Ray Crystallographic Characterization with the Pyridoxal Phosphatase Chronophin.
Bioorg.Med.Chem., 23, 2015
1KTP
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BU of 1ktp by Molmil
Crystal structure of c-phycocyanin of synechococcus vulcanus at 1.6 angstroms
分子名称: BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, ...
著者Adir, N, Dobrovetsky, E, Lerner, N.
登録日2002-01-17
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Refined structure of c-phycocyanin from the cyanobacterium Synechococcus vulcanus at 1.6 A: insights into the role of solvent molecules in thermal stability and co-factor structure
Biochim.Biophys.Acta, 1556, 2002
1LOK
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BU of 1lok by Molmil
The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica Complexed with Tris: A Tale of Buffer Inhibition
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ...
著者Desmarais, W.T, Bienvenue, D.L, Bzymek, K.P, Holz, R.C, Petsko, G.A, Ringe, D.
登録日2002-05-06
公開日2002-11-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica Complexed with Tris A tale of Buffer Inhibition
Structure, 10, 2002
5Q0I
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BU of 5q0i by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide, Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
7M50
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BU of 7m50 by Molmil
Crystallographic structure of a cubic crystal form of STMV grown from ammonium sulfate
分子名称: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
著者McPherson, A.
登録日2021-03-22
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021

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