7E3B
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7E3C
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8FBF
| Crystal structure of OrfX2 from Clostridium botulinum E1 | Descriptor: | Neurotoxin complex component Orf-X2, SULFATE ION | Authors: | Lam, K.H, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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6IIC
| CryoEM structure of Mud Crab Dicistrovirus | Descriptor: | VP1 of Mud crab dicistrovirus, VP2 of Mud crab dicistrovirus, VP3 of Mud crab dicistrovirus, ... | Authors: | Zhang, Q, Gao, Y. | Deposit date: | 2018-10-04 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections. J. Virol., 93, 2019
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6IZL
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6JJI
| Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 (1:1) | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3') | Authors: | Zhang, Y.S, Parkinson, G.N, Wei, D.G. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths. Nucleic Acids Res., 48, 2020
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6JO7
| Crystal structure of mouse MXRA8 | Descriptor: | Matrix remodeling-associated protein 8 | Authors: | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F. | Deposit date: | 2019-03-20 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein. Cell, 177, 2019
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6JJH
| Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3') | Authors: | Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths. Nucleic Acids Res., 48, 2020
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6JO8
| The complex structure of CHIKV envelope glycoprotein bound to human MXRA8 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ... | Authors: | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G. | Deposit date: | 2019-03-20 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.495 Å) | Cite: | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein. Cell, 177, 2019
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6JJF
| Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ... | Authors: | Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths. Nucleic Acids Res., 48, 2020
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6JV3
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6JV5
| Crystal structure of 5-methylcytosine containing decamer dsDNA | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3') | Authors: | Zhang, L, Wang, Y.X. | Deposit date: | 2019-04-15 | Release date: | 2019-07-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine. Chem Sci, 10, 2019
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4I9H
| Crystal structure of rabbit LDHA in complex with AP28669 | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I8X
| Crystal structure of rabbit LDHA in complex with AP27460 | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9N
| Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9U
| Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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6KUJ
| Structure of influenza D virus polymerase bound to cRNA promoter in class 1 | Descriptor: | 3'-cRNA promoter, 5'-cRNA promoter, Polymerase 3, ... | Authors: | Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y. | Deposit date: | 2019-09-02 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation NAT NANOTECHNOL, 2019
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6LW2
| The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | Descriptor: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | Deposit date: | 2020-02-07 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
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7XDK
| Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... | Authors: | Liu, Z, Lui, S, Gao, Y. | Deposit date: | 2022-03-27 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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6KYB
| Crystal structure of Atg18 from Saccharomyces cerevisiae | Descriptor: | Autophagy-related protein 18 | Authors: | Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S. | Deposit date: | 2019-09-17 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae. Cell.Mol.Life Sci., 78, 2021
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2MG9
| Truncated EGF-A | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor | Authors: | Schroeder, C.I, Rosengren, K. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Method: | SOLUTION NMR | Cite: | Design and Synthesis of Truncated EGF-A Peptides that Restore LDL-R Recycling in the Presence of PCSK9 In Vitro. Chem.Biol., 21, 2014
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7F5F
| SARS-CoV-2 ORF8 S84 | Descriptor: | CALCIUM ION, ORF8 protein | Authors: | Chen, S, Zhou, Z, Chen, X. | Deposit date: | 2021-06-22 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses. Front Immunol, 12, 2021
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7F8L
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2QJR
| dipepdyl peptidase IV in complex with inhibitor PZF | Descriptor: | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shenping, L. | Deposit date: | 2007-07-09 | Release date: | 2008-07-29 | Last modified: | 2022-04-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization. Bioorg.Med.Chem.Lett., 17, 2007
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3BXV
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