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9BUL
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BU of 9bul by Molmil
The structure of NiaR from Thermotoga maritima bound to nicotinic acid
分子名称: FE (II) ION, NICOTINIC ACID, PROLINE, ...
著者Glasfeld, A, Cheng, D.W.C, Li, Y.
登録日2024-05-17
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of NiaR from Thermotoga maritima bound to nicotinic acid
To Be Published
8X19
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BU of 8x19 by Molmil
Structure of nucleosome-bound SRCAP-C in the ADP-BeFx-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
登録日2023-11-06
公開日2024-03-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
8WWU
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1-naphthylamine GS in complex with AMP PNP
分子名称: Glutamine synthetase, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Zhang, S.T, Zhou, N.Y.
登録日2023-10-26
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of the 1-naphthylamine biodegradation pathway reveals a glutamine synthetase-like protein that catalyzes 1-naphthylamine glutamylation
To Be Published
8UAR
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BU of 8uar by Molmil
Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b
分子名称: 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ...
著者Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C.
登録日2023-09-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8XQU
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BU of 8xqu by Molmil
The Crystal Structure of ClpC1-NTD from Biortus.
分子名称: 1,2-ETHANEDIOL, ATP-dependent Clp protease ATP-binding subunit ClpC1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
登録日2024-01-05
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of ClpC1-NTD from Biortus.
To Be Published
8UUY
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BU of 8uuy by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
9C5S
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BU of 9c5s by Molmil
Disulfide-linked, antiparallel p53-derived peptide dimer (CV1)
分子名称: Cellular tumor antigen p53, SULFATE ION
著者Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K.
登録日2024-06-06
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Structural Characterization of Disulfide-Linked, p53-Derived Peptide Dimers
To Be Published
8VSG
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BU of 8vsg by Molmil
SARS-CoV-2 main protease with covalent inhibitor
分子名称: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Bell, J.A, Bandera, A.M.
登録日2024-01-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.071 Å)
主引用文献Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
8VW0
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BU of 8vw0 by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (AMP bound)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (AMP bound)
To be published
8V4J
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BU of 8v4j by Molmil
Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233
分子名称: 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ...
著者Junop, M.S, Brown, C, Szabla, R.
登録日2023-11-29
公開日2023-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
8VU4
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Structure of FabS1CE4-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
登録日2024-01-28
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8UFN
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BU of 8ufn by Molmil
Crystal Structure of neuronal HAstV VA1 capsid spike domain at 2.73 A resolution
分子名称: Capsid polyprotein VP90
著者Ghosh, A, Delgado-Cunningham, K, DuBois, R.M.
登録日2023-10-04
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.
Plos Pathog., 20, 2024
8Y9W
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BU of 8y9w by Molmil
CRYSTAL STRUCTURE OF A LYSOZYME FROM HEN EGG WHITE
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8UR4
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Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (I4122 form)
分子名称: CHLORIDE ION, MACROPHAGE MIGRATION INHIBITORY FACTOR
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-10-25
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (I4122 form)
To be published
8V4A
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BU of 8v4a by Molmil
Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine
分子名称: (2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid, (E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine, DIMETHYL SULFOXIDE, ...
著者Phillips, R.S.
登録日2023-11-28
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine
To Be Published
8UO7
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BU of 8uo7 by Molmil
Bovine trypsin in complex with deacetylated wild type microviridin J
分子名称: CALCIUM ION, Cationic trypsin, Deacetylated wildtype microviridin J, ...
著者Chen, W, Bruner, S.D.
登録日2023-10-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8VF3
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BU of 8vf3 by Molmil
The crystal structure of GALQE CYP199A4 bound to 4-methoxybenzoic acid
分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-12-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
著者Gan, J, Zhang, W.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8VUC
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BU of 8vuc by Molmil
Structure of FabS1CE2-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE2 VARIANT OF FAB-EPR-1 heavy chain, ...
著者Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
登録日2024-01-29
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8WY3
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BU of 8wy3 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21
分子名称: Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WCT
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BU of 8wct by Molmil
The crystal structure of the CHASE4 domain of iron-sensetive membrane protein (IsmP,Uniprot ID:Q9I243)
分子名称: Bifunctional diguanylate cyclase/phosphodiesterase, GLYCEROL
著者Wang, C.C.
登録日2023-09-13
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
9C89
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BU of 9c89 by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia chaffeensis
分子名称: CHLORIDE ION, GLYCEROL, Outer membrane lipoprotein carrier protein LolA, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Ehrlichia chaffeensis
To be published
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8UVM
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SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313
分子名称: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ...
著者Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-03
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024

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件を2024-07-17に公開中

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