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3J40
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BU of 3j40 by Molmil
Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling
分子名称: gp10, gp7
著者Baker, M.L, Hryc, C.F, Zhang, Q, Wu, W, Jakana, J, Haase-Pettingell, C, Afonine, P.V, Adams, P.D, King, J.A, Jiang, W, Chiu, W.
登録日2013-05-30
公開日2013-07-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
Proc.Natl.Acad.Sci.USA, 110, 2013
8EUL
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BU of 8eul by Molmil
cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gable, J.A, Follmer, A.H, Poulos, T.L.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
5F9R
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BU of 5f9r by Molmil
Crystal structure of catalytically-active Streptococcus pyogenes CRISPR-Cas9 in complex with single-guided RNA and double-stranded DNA primed for target DNA cleavage
分子名称: CRISPR-associated endonuclease Cas9/Csn1, DNA (30-MER), DNA (5'-D(P*AP*TP*GP*AP*GP*AP*CP*GP*CP*TP*GP*GP*AP*GP*TP*AP*CP*AP*C)-3'), ...
著者Jiang, F, Doudna, J.A.
登録日2015-12-10
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of a CRISPR-Cas9 R-loop complex primed for DNA cleavage.
Science, 351, 2016
3K82
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BU of 3k82 by Molmil
Crystal Structure of the third PDZ domain of PSD-95
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disks large homolog 4, GLYCEROL, ...
著者Camara-Artigas, A, Gavira, J.A.
登録日2009-10-13
公開日2010-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel conformational aspects of the third PDZ domain of the neuronal post-synaptic density-95 protein revealed from two 1.4A X-ray structures
J.Struct.Biol., 170, 2010
2COQ
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BU of 2coq by Molmil
Structure of new antigen receptor variable domain from sharks
分子名称: new antigen receptor variable domain
著者Streltsov, V.A, Carmichael, J.A, Nuttall, S.D.
登録日2005-05-18
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a shark IgNAR antibody variable domain and modeling of an early-developmental isotype.
Protein Sci., 14, 2005
2CJM
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BU of 2cjm by Molmil
Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Welburn, J.P.I, Tucker, J, Johnson, T, Lindert, L, Morgan, M, Willis, A, Noble, M.E.M, Endicott, J.A.
登録日2006-04-05
公開日2006-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How Tyrosine 15 Phosphorylation Inhibits the Activity of Cyclin-Dependent Kinase 2-Cyclin A.
J.Biol.Chem., 282, 2007
8ESW
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BU of 8esw by Molmil
Structure of mitochondrial complex I from Drosophila melanogaster, Flexible-class 1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Padavannil, A, Letts, J.A.
登録日2022-10-15
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
8ESZ
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BU of 8esz by Molmil
Structure of mitochondrial complex I from Drosophila melanogaster, Helix-locked state
分子名称: (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Padavannil, A, Letts, J.A.
登録日2022-10-15
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
8D3J
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BU of 8d3j by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 6-fluoro-2-methylquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 6-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3O
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BU of 8d3o by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-methoxyquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 8-methoxyquinolin-4-amine, Apoptosis-inducing factor (AIF), ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3E
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BU of 8d3e by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 6-fluoroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3I
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BU of 8d3i by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine
分子名称: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3H
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BU of 8d3h by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 7-chloroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3K
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BU of 8d3k by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3N
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BU of 8d3n by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 7-chloroquinolin-4-amine
分子名称: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
著者Brosey, C.A, Tainer, J.A.
登録日2022-06-01
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
3J41
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BU of 3j41 by Molmil
Pseudo-atomic model of the Aquaporin-0/Calmodulin complex derived from electron microscopy
分子名称: CALCIUM ION, Calmodulin, Lens fiber major intrinsic protein
著者Reichow, S.L, Clemens, D.M, Freites, J.A, Nemeth-Cahalan, K.L, Heyden, M, Tobias, D.J, Hall, J.E, Gonen, T.
登録日2013-05-31
公開日2013-07-31
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (25 Å)
主引用文献Allosteric mechanism of water-channel gating by Ca(2+)-calmodulin.
Nat.Struct.Mol.Biol., 20, 2013
5EEL
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BU of 5eel by Molmil
Grb7 SH2 with bicyclic peptide inhibitor
分子名称: Bicyclic Peptide Inhibitor, FORMIC ACID, Growth factor receptor-bound protein 7, ...
著者Watson, G.M, Gunzburg, M.J, Wilce, M.C.J, Wilce, J.A.
登録日2015-10-23
公開日2016-06-15
最終更新日2018-12-26
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Sci Rep, 6, 2016
5EGV
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BU of 5egv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
分子名称: 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-10-27
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.863 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5EI1
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BU of 5ei1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
分子名称: 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-10-29
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8EPN
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BU of 8epn by Molmil
Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 in the 3-RBD Down conformation
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Williams, J.A, Harshbarger, W.
登録日2022-10-06
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
8EPQ
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Cryo-EM structure of SARS-CoV-2 Spike trimer S2D14 with two RBDs exposed
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Williams, J.A, Harshbarger, W.
登録日2022-10-06
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and computational design of a SARS-CoV-2 spike antigen with improved expression and immunogenicity.
Sci Adv, 9, 2023
2BNK
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BU of 2bnk by Molmil
The structure of phage phi29 replication organizer protein p16.7
分子名称: EARLY PROTEIN GP16.7
著者Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J.
登録日2005-03-28
公開日2005-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding.
J.Biol.Chem., 280, 2005
2BSX
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BU of 2bsx by Molmil
Crystal structure of the Plasmodium falciparum purine nucleoside phosphorylase complexed with inosine
分子名称: INOSINE, PURINE NUCLEOSIDE PHOSPHORYLASE
著者Schnick, C, Brzozowski, A.M, Dodson, E.J, Murshudov, G.N, Brannigan, J.A, Wilkinson, A.J.
登録日2005-05-24
公開日2005-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Plasmodium Falciparum Purine Nucleoside Phosphorylase Complexed with Sulfate and its Natural Substrate Inosine
Acta Crystallogr.,Sect.D, 61, 2005
3L21
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BU of 3l21 by Molmil
The crystal structure of a dimeric mutant of dihydrodipicolinate synthase (DAPA, RV2753C) from Mycobacterium Tuberculosis - DHDPS-A204R
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Evans, G.L, Schuldt, L, Jamerson, G.B, Devenish, S.R, Weiss, M.S, Gerrard, J.A.
登録日2009-12-14
公開日2010-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A dimeric mutant of DHDPS from Mycobacterium tuberculosis
To be Published
2AQU
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BU of 2aqu by Molmil
Structure of HIV-1 protease bound to atazanavir
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, HIV-1 Protease
著者Clemente, J.C, Coman, R.M, Thiaville, M.M, Janka, L.K, Jeung, J.A, Nukoolkarn, S, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Leelamanit, W, Goodenow, M.M, Dunn, B.M.
登録日2005-08-18
公開日2006-08-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.
Biochemistry, 45, 2006

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