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PDB: 53012 件
6PF9
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Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid.
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
8CMA
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BU of 8cma by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-02-18
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
6P82
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BU of 6p82 by Molmil
Structure of P. aeruginosa ATCC27853 CdnD, Apo form 1
分子名称: Nucleotidyltransferase, SULFATE ION
著者Ye, Q, Corbett, K.D.
登録日2019-06-06
公開日2019-12-25
最終更新日2020-03-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
6MQK
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BU of 6mqk by Molmil
Crystal Structure of GTPase Domain of Human Septin 12 in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-12
著者Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C.
登録日2018-10-10
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface.
Iucrj, 7, 2020
7QFZ
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BrxR, a WYL-domain containing transcriptional regulator
分子名称: SULFATE ION, WYL domain-containing protein
著者Picton, D.M, Blower, T.R.
登録日2021-12-07
公開日2022-05-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands.
Nucleic Acids Res., 50, 2022
7QPN
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BU of 7qpn by Molmil
Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP
分子名称: 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C)
著者Howard, T.D, Ogg, D.T.
登録日2022-01-05
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode.
J.Med.Chem., 65, 2022
6P7E
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BU of 6p7e by Molmil
Structure of T7 DNA Polymerase Bound to a Primer/Template DNA and a Peptide that Mimics the C-terminal Tail of the Primase-Helicase
分子名称: ASP-THR-ASP-PHE peptide, DNA (25-MER), DNA (5'-D(P*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*CP*TP*TP*GP*CP*CP*GP*GP*TP*GP*A)-3'), ...
著者Foster, B.M, Rosenberg, D, Salvo, H, Stephens, K.L, Bintz, B.J, Hammel, M, Ellenberger, T, Gainey, M.D, Wallen, J.R.
登録日2019-06-05
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Combined Solution and Crystal Methods Reveal the Electrostatic Tethers That Provide a Flexible Platform for Replication Activities in the Bacteriophage T7 Replisome.
Biochemistry, 58, 2019
6N85
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Resistance to inhibitors of cholinesterase 8A (Ric8A) protein in complex with MBP-tagged transducin-alpha residues 327-350
分子名称: Maltose/maltodextrin-binding periplasmic protein,Guanine nucleotide-binding protein G(t) subunit alpha-2, Synembryn-A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Srivastava, D, Gakhar, L, Artemyev, N.O.
登録日2018-11-28
公開日2019-07-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural underpinnings of Ric8A function as a G-protein alpha-subunit chaperone and guanine-nucleotide exchange factor.
Nat Commun, 10, 2019
6PFG
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BU of 6pfg by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid.
分子名称: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
8D86
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Snow, C.D.
登録日2022-06-07
公開日2023-06-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
6N4W
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BU of 6n4w by Molmil
Tetragonal thermolysin (with 50% xylose) cryocooled in a nitrogen gas stream to 100 K
分子名称: CALCIUM ION, Thermolysin, ZINC ION, ...
著者Juers, D.H, Harrison, K, Wu, B.
登録日2018-11-20
公開日2019-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A comparison of gas stream cooling and plunge cooling of macromolecular crystals.
J.Appl.Crystallogr., 52, 2019
8D8M
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BU of 8d8m by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence grown in a calcium chloride crystallization solution.
分子名称: CALCIUM ION, DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3'), DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), ...
著者Orun, A.R, Snow, C.D.
登録日2022-06-08
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Designed crystalline assemblies of protein and DNA enable site-specific installation of a guest protein, DNA, and small molecule.
To Be Published
6N84
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BU of 6n84 by Molmil
MBP-fusion protein of transducin-alpha residues 327-350
分子名称: Maltose/maltodextrin-binding periplasmic protein,Guanine nucleotide-binding protein G(t) subunit alpha-2, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Srivastava, D, Gakhar, L, Artemyev, N.O.
登録日2018-11-28
公開日2019-07-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural underpinnings of Ric8A function as a G-protein alpha-subunit chaperone and guanine-nucleotide exchange factor.
Nat Commun, 10, 2019
6VEQ
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BU of 6veq by Molmil
Con-Ins G1 in complex with the human insulin microreceptor in turn in complex with Fv 83-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-Ins G1 B chain, Con-Ins G1a A chain, ...
著者Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
登録日2020-01-02
公開日2020-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
7BNO
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BU of 7bno by Molmil
Open conformation of D614G SARS-CoV-2 spike with 2 Erect RBDs
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Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2021-01-22
公開日2021-02-03
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The effect of the D614G substitution on the structure of the spike glycoprotein of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BNM
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BU of 7bnm by Molmil
Closed conformation of D614G SARS-CoV-2 spike protein
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Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
登録日2021-01-22
公開日2021-02-03
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The effect of the D614G substitution on the structure of the spike glycoprotein of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7QEV
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BU of 7qev by Molmil
human Connexin 26 at 55mm Hg PCO2, pH7.4:two masked subunits, class D
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-06-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
8U4J
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BU of 8u4j by Molmil
Structure of the HER4/BTC Homodimer Extracellular Domain
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, Betacellulin, ...
著者Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N.
登録日2023-09-10
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of the HER4/BTC Homodimer Extracellular Domain
To Be Published
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
8U4I
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Structure of the HER4/NRG1b Homodimer Extracellular Domain
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, Isoform 6 of Pro-neuregulin-1, ...
著者Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N.
登録日2023-09-10
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
To Be Published
8DLK
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BU of 8dlk by Molmil
Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLS
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BU of 8dls by Molmil
Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8)
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, Fab 4A8 heavy chain, ...
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8U4L
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BU of 8u4l by Molmil
Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
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, Isoform 6 of Pro-neuregulin-1, ...
著者Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N.
登録日2023-09-10
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
To Be Published
8DLV
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BU of 8dlv by Molmil
Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLT
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BU of 8dlt by Molmil
Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein
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Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022

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