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7KDI
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SARS-CoV-2 D614G 3 RBD down Spike Protein Trimer fully cleaved by furin without the P986-P987 stabilizing mutations (S-RRAR-D614G)
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, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-08
公開日2020-11-04
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
7KGK
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BU of 7kgk by Molmil
Crystal structure of synthetic nanobody (Sb16) complexes with SARS-CoV-2 receptor binding domain
分子名称: Sb16, Sybody-16, Synthetic Nanobody, ...
著者Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H.
登録日2020-10-16
公開日2021-02-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
7KJG
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F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC
分子名称: GLYCEROL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
登録日2020-10-26
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
4TOD
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BU of 4tod by Molmil
2.05A resolution structure of BfrB (D34F) from Pseudomonas aeruginosa
分子名称: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
登録日2014-06-05
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
7KLI
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BU of 7kli by Molmil
Crystal Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-30
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
4TR0
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BU of 4tr0 by Molmil
Crystal structure of GSSG-bound cGrx2
分子名称: ACETATE ION, Glutaredoxin 3, OXIDIZED GLUTATHIONE DISULFIDE
著者Lee, E.H, Hwang, K.Y.
登録日2014-06-13
公開日2014-10-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The GSH- and GSSG-bound structures of glutaredoxin from Clostridium oremlandii.
Arch.Biochem.Biophys., 564C, 2014
7KTX
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BU of 7ktx by Molmil
Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ...
著者Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A.
登録日2020-11-24
公開日2020-12-02
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
7KVB
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BU of 7kvb by Molmil
Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M
著者Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J.
登録日2020-11-27
公開日2020-12-23
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
7K3M
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Crystal Structure of the Beta Lactamase Class D from Chitinophaga pinensis by Serial Crystallography
分子名称: Beta-lactamase
著者Kim, Y, Sherrell, D.A, Johnson, J, Lavens, A, Maltseva, N, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-11
公開日2020-09-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Beta Lactamase Class D from Chitinophaga pinensis by Serial Crystallography
To Be Published
7K46
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Crystal Structure of a putative aspartate carbamoyltransferase Leishmania major Friedlin
分子名称: 1,2-ETHANEDIOL, Aspartate carbamoyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a putative aspartate carbamoyltransferase Leishmania major Friedlin
to be published
7K9W
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BU of 7k9w by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461
分子名称: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
5AXS
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BU of 5axs by Molmil
Crystal structure of CdCat-Fn
分子名称: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
著者Abe, S, Nakajima, H, Kondo, M, Nakane, T, Nakao, T, Ueno, T, Watanabe, Y.
登録日2015-08-01
公開日2015-11-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Construction of an enterobactin analogue with symmetrically arranged monomer subunits of ferritin
Chem.Commun.(Camb.), 51, 2015
7K4W
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BU of 7k4w by Molmil
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
2C3B
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BU of 2c3b by Molmil
The Crystal Structure of Aspergillus fumigatus Cyclophilin reveals 3D Domain Swapping of a Central Element
分子名称: PPIASE, SULFATE ION
著者Limacher, A, Kloer, D.P, Fluckiger, S, Folkers, G, Crameri, R, Scapozza, L.
登録日2005-10-05
公開日2006-01-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of Aspergillus Fumigatus Cyclophilin Reveals 3D Domain Swapping of a Central Element
Structure, 14, 2006
2BQZ
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BU of 2bqz by Molmil
Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8)
分子名称: HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN
著者Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R.
登録日2005-04-28
公開日2005-06-08
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specificity and Mechanism of the Histone Methyltransferase Pr-Set7
Genes Dev., 19, 2005
4RPY
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BU of 4rpy by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dCTP soaked with MgCl2 for 30 s
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ACETATE ION, CHLORIDE ION, ...
著者Vyas, R, Suo, Z.
登録日2014-10-31
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
7KJD
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BU of 7kjd by Molmil
F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
登録日2020-10-26
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
7K8M
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BU of 7k8m by Molmil
Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C102 Fab Heavy Chain, C102 Fab Light Chain, ...
著者Jette, C.A, Barnes, C.O, Bjorkman, P.J.
登録日2020-09-27
公開日2020-10-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies.
Nature, 588, 2020
4TMF
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BU of 4tmf by Molmil
Crystal structure of human CD38 in complex with hydrolysed compound JMS713
分子名称: 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
著者Zhang, H, Swarbrick, J, Potter, B, Hao, Q.
登録日2014-06-01
公開日2015-05-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cyclic adenosine 5'-diphosphate ribose analogs without a "southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38.
J.Med.Chem., 57, 2014
7KJR
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BU of 7kjr by Molmil
Cryo-EM structure of SARS-CoV-2 ORF3a
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein
著者Kern, D.M, Hoel, C.M, Kotecha, A, Brohawn, S.G.
登録日2020-10-26
公開日2020-11-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 ORF3a in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A, Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
7KN5
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BU of 7kn5 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-11-04
公開日2021-01-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
4TOA
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1.95A resolution structure of Iron Bound BfrB (N148L) from Pseudomonas aeruginosa
分子名称: Bacterioferritin, FE (II) ION, POTASSIUM ION, ...
著者Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
登録日2014-06-05
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
2C9L
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Structure of the Epstein-Barr virus ZEBRA protein
分子名称: 5'-D(*AP*AP*GP*CP*AP*CP*TP*GP*AP*CP *TP*CP*AP*TP*GP*AP*AP*GP*T)-3', 5'-D(*AP*CP*TP*TP*CP*AP*CP*TP*GP*AP *GP*TP*CP*AP*GP*TP*GP*CP*T)-3', BZLF1 TRANS-ACTIVATOR PROTEIN
著者Petosa, C, Morand, P, Baudin, F, Moulin, M, Artero, J.B, Muller, C.W.
登録日2005-12-13
公開日2006-02-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Basis of Lytic Cycle Activation by the Epstein-Barr Virus Zebra Protein
Mol.Cell, 21, 2006

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