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7LKC
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Crystal Structure of Keratinimicin A
分子名称: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
著者Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
登録日2021-02-02
公開日2022-12-07
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7YIW
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BU of 7yiw by Molmil
The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Acidic pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ...
著者Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Cao, Y.
登録日2022-07-18
公開日2023-07-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase.
Nat Commun, 14, 2023
7YH8
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Crystal structure of a heterochiral protein complex
分子名称: D-Pep-1, L-19437
著者Liang, M, Li, S, Wang, T, Liu, L, Lu, P.
登録日2022-07-13
公開日2023-07-19
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Accurate de novo design of heterochiral protein-protein interactions
Cell Res., 2024
8S3R
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BU of 8s3r by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7
分子名称: 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Pala, D, Bruno, P, Capelli, A.M, Biagetti, M.
登録日2024-02-20
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation.
J.Med.Chem., 67, 2024
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
分子名称: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
登録日2015-07-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
5FQL
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Insights into Hunter syndrome from the structure of iduronate-2- sulfatase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J.
登録日2015-12-11
公開日2017-01-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Durbin, J.D, Wang, J, Afshar, S.
登録日2019-09-30
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
6R9D
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Crystal structure of an asymmetric dimer of the N-terminal domain of Euprosthenops australis Major Ampullate Spidroin 1 (dragline silk)
分子名称: Major ampullate spidroin 1, SULFATE ION
著者Knight, S.D, Jiang, W, Askarieh, G.
登録日2019-04-03
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the N-terminal domain of Euprosthenops australis dragline silk suggests that conversion of spidroin dope to spider silk involves a conserved asymmetric dimer intermediate.
Acta Crystallogr D Struct Biol, 75, 2019
4RFO
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BU of 4rfo by Molmil
Crystal structure of the ADCC-Potent Antibody N60-I3 Fab in complex with HIV-1 Clade A/E gp120 and M48u1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade A/E gp120, N60-i3 Fab heavy chain, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2014-09-26
公開日2015-07-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
6F0C
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BU of 6f0c by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
分子名称: (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, OXYGEN MOLECULE, ...
著者Fulop, V.
登録日2017-11-17
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
4X0L
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BU of 4x0l by Molmil
Human haptoglobin-haemoglobin complex
分子名称: CACODYLATE ION, GLYCEROL, Haptoglobin, ...
著者Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
登録日2014-11-21
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
2XEI
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Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, A.X, Murelli, R.P, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
登録日2010-05-14
公開日2010-09-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
5GIN
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BU of 5gin by Molmil
Crystal structure of box C/D RNP with 12 nt guide regions and 9 nt substrates
分子名称: 50S ribosomal protein L7Ae, C/D RNA, C/D box methylation guide ribonucleoprotein complex aNOP56 subunit, ...
著者Yang, Z, Lin, J, Ye, K.
登録日2016-06-24
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.308 Å)
主引用文献Box C/D guide RNAs recognize a maximum of 10 nt of substrates
Proc.Natl.Acad.Sci.USA, 113, 2016
7MK7
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BU of 7mk7 by Molmil
Augmentor domain of augmentor-beta
分子名称: ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J.
登録日2021-04-21
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42815185 Å)
主引用文献Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
2XEJ
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BU of 2xej by Molmil
Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, A.X, Murelli, R, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
登録日2010-05-14
公開日2010-09-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
7MGW
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BU of 7mgw by Molmil
5-HT bound serotonin transporter reconstituted in lipid nanodisc in NaCl in occluded conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ...
著者Yang, D, Gouaux, E.
登録日2021-04-13
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Illumination of serotonin transporter mechanism and role of the allosteric site.
Sci Adv, 7, 2021
2XEG
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BU of 2xeg by Molmil
Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, A.X, Murelli, R.P, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
登録日2010-05-14
公開日2010-09-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
5GZ1
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BU of 5gz1 by Molmil
Structure of substrate/cofactor-free D-amino acid dehydrogenase
分子名称: Meso-diaminopimelate D-dehydrogenase
著者Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
登録日2016-09-26
公開日2017-04-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
4YW2
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BU of 4yw2 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, complex 6'SL
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
著者Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
登録日2015-03-20
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
5NBA
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BU of 5nba by Molmil
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5AG1
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DyP-type peroxidase of Auricularia auricula-judae (AauDyPI) with meso- nitrated heme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
著者Strittmatter, E, Piontek, K, Plattner, D.A.
登録日2015-01-27
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic Trapping of a Covalently Modified Heme in a Dye-Decolorizing Peroxidase
To be Published
6USW
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CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH (S)-MCG-IV-210
分子名称: (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-10-28
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
2XEF
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BU of 2xef by Molmil
Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, A.X, Murelli, R.P, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
登録日2010-05-14
公開日2010-09-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
8F2Y
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Structure of an alternating AT dodecamer: 5'-CGCGATATCGCG-3
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E.N, Wilson, W.D.
登録日2022-11-09
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
6HAE
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Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP cofactor and methenyl-tetrahydromethanopterin (close form B)
分子名称: 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, 5,10-methenyltetrahydromethanopterin hydrogenase, CHLORIDE ION, ...
著者Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
登録日2018-08-07
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019

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