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5HXZ
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Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, CHLORIDE ION, ...
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-01-31
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
7N5Z
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BU of 7n5z by Molmil
SARS-CoV-2 Main protease C145S mutant
分子名称: 3C-like proteinase
著者Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S.
登録日2021-06-07
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
5HPR
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BU of 5hpr by Molmil
Insulin with proline analog HyP at position B28 in the T2 state
分子名称: GLYCEROL, Insulin A-Chain, Insulin B-Chain, ...
著者Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
登録日2016-01-21
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
7NJ9
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BU of 7nj9 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133
分子名称: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NJ6
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14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005
分子名称: 14-3-3 protein sigma, 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NJB
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BU of 7njb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132
分子名称: 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7N6N
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BU of 7n6n by Molmil
SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues
分子名称: 3C-like proteinase
著者Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Fernandes, R.S, Oliva, G, Godoy, A.S.
登録日2021-06-08
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
7N50
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Structure of a bacterial gasdermin from Bradyrhizobium tropiciagri
分子名称: Gasdermin
著者Johnson, A.G, Kranzusch, P.J.
登録日2021-06-04
公開日2021-06-23
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bacterial gasdermins reveal an ancient mechanism of cell death.
Science, 375, 2022
7NJ8
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14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007
分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
5HTS
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BU of 5hts by Molmil
Crystal structure of shaft pilin spaA from Lactobacillus rhamnosus GG - D295N mutant
分子名称: Cell surface protein SpaA
著者Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V.
登録日2016-01-27
公開日2016-07-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
5HVI
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BU of 5hvi by Molmil
Crystal structure of TEM1 beta-lactamase
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-01-28
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
7NQP
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BU of 7nqp by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009
分子名称: 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-03-02
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NIX
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14-3-3 sigma with AS160 binding site pT642
分子名称: 14-3-3 protein sigma, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MAGNESIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-14
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7N52
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BU of 7n52 by Molmil
Structure of a bacterial gasdermin from Runella zeae
分子名称: Gasdermin
著者Johnson, A.G, Kranzusch, P.J.
登録日2021-06-04
公開日2021-06-23
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bacterial gasdermins reveal an ancient mechanism of cell death.
Science, 375, 2022
5HOC
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BU of 5hoc by Molmil
p73 homo-tetramerization domain mutant II
分子名称: Tumor protein p73
著者Coutandin, D, Krojer, T, Salah, E, Mathea, S, Sumyk, M, Knapp, S, Dotsch, V.
登録日2016-01-19
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36007786 Å)
主引用文献Mechanism of TAp73 inhibition by Delta Np63 and structural basis of p63/p73 hetero-tetramerization.
Cell Death Differ., 23, 2016
5HOG
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BU of 5hog by Molmil
Crystal structure of the carboxy-terminal domain of yeast Ctf4 bound to Dna2.
分子名称: DNA polymerase alpha-binding protein, Dna2p
著者Simon, A.C, Pellegrini, L.
登録日2016-01-19
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.092 Å)
主引用文献Ctf4 Is a Hub in the Eukaryotic Replisome that Links Multiple CIP-Box Proteins to the CMG Helicase.
Mol.Cell, 63, 2016
7NIG
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BU of 7nig by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008
分子名称: 14-3-3 protein sigma, 2-bromanyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-12
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
5HPE
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BU of 5hpe by Molmil
Phosphatase domain of PP5 bound to a phosphomimetic Cdc37 substrate peptide
分子名称: COBALT HEXAMMINE(III), MANGANESE (II) ION, Serine/threonine-protein phosphatase 5,Hsp90 co-chaperone Cdc37
著者Oberoi, J, Mariotti, L, Vaughan, C.
登録日2016-01-20
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and functional basis of protein phosphatase 5 substrate specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016
7NEI
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BU of 7nei by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state
分子名称: Polyester Hydrolase Leipzig 7 (PHL-7), SODIUM ION
著者Richter, P.K, Strater, N.
登録日2021-02-04
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase.
ChemSusChem, 15, 2022
5HYM
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BU of 5hym by Molmil
3-Hydroxybenzoate 6-hydroxylase from Rhodococcus jostii in complex with phosphatidylinositol
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Phosphatidylinositol, ...
著者Orru, R, Montersino, S, Mattevi, A, van Berkel, W.J.H.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Hydroxybenzoate 6-Hydroxylase from Rhodococcus jostii RHA1 Contains a Phosphatidylinositol Cofactor.
Front Microbiol, 8, 2017
7N89
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BU of 7n89 by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2
分子名称: 3C-like proteinase, ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-06-14
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography.
Iucrj, 8, 2021
7N51
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BU of 7n51 by Molmil
Structure of a bacterial gasdermin from Vitiosangium sp.
分子名称: Gasdermin
著者Johnson, A.G, Kranzusch, P.J.
登録日2021-06-04
公開日2021-06-16
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Bacterial gasdermins reveal an ancient mechanism of cell death.
Science, 375, 2022
7NJA
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BU of 7nja by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
分子名称: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
登録日2016-01-24
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
7NLY
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BU of 7nly by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole.
分子名称: 2-chloranyl-1~{H}-benzimidazole, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021

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件を2024-07-17に公開中

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