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8T0E
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TRPV1 in Nanodisc not bound with lysophosphatidic acid (apo)
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
著者Arnold, W.R, Cheng, Y.
登録日2023-05-31
公開日2024-05-08
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
7SVP
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Structure of compound 34 bound to human Phospholipase D2 catalytic domain
分子名称: 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, Phospholipase D2
著者Metrick, C.M, Chodaparambil, J.V.
登録日2021-11-19
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance.
Acs Med.Chem.Lett., 13, 2022
4HFV
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Crystal structure of lpg1851 protein from Legionella pneumophila (putative T4SS effector)
分子名称: CITRIC ACID, SUCCINIC ACID, Uncharacterized protein
著者Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-10-05
公開日2012-11-07
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
4GSS
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BU of 4gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
著者Oakley, A, Rossjohn, J, Parker, M.
登録日1997-01-20
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme.
Biochemistry, 36, 1997
6J14
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Complex structure of GY-14 and PD-1
分子名称: GY-14 heavy chain V fragment, GY-14 light chain V fragment, Programmed cell death protein 1
著者Chen, D, Tan, S, Whang, H, Zhang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F.
登録日2018-12-27
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
7TLN
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BU of 7tln by Molmil
STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR
分子名称: 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER, CALCIUM ION, THERMOLYSIN, ...
著者Matthews, B.W, Holmes, M.A, Tronrud, D.E.
登録日1983-01-27
公開日1983-03-09
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor.
Biochemistry, 22, 1983
8TZ0
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BU of 8tz0 by Molmil
Structure of a bacterial E1-E2-Ubl complex (form 1)
分子名称: E1(BilD), E2(BilB), Ubl(BilA), ...
著者Ye, Q, Chambers, L.R, Corbett, K.D.
登録日2023-08-26
公開日2024-06-12
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A eukaryotic-like ubiquitination system in bacterial antiviral defence.
Nature, 631, 2024
7TOG
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Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme
分子名称: SGNH hydrolase
著者Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E.
登録日2022-01-24
公開日2022-04-13
最終更新日2022-11-02
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
7TOI
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Crystal structure of carbohydrate esterase PbeAcXE, in complex with acetate
分子名称: ACETATE ION, SGNH hydrolase
著者Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E.
登録日2022-01-24
公開日2022-04-13
最終更新日2022-11-02
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
7TOJ
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Crystal structure of carbohydrate esterase CspAcXE, apoenzyme
分子名称: CHLORIDE ION, SGNH/GDSL hydrolase family protein
著者Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E.
登録日2022-01-24
公開日2022-04-13
最終更新日2022-11-02
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
7TOH
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Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp
分子名称: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase
著者Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E.
登録日2022-01-24
公開日2022-04-13
最終更新日2022-11-02
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
8U27
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BU of 8u27 by Molmil
Bcl-2-xL complexed with compound 35
分子名称: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
著者Rizo, J, Pan, Y.-Z.
登録日2023-09-05
公開日2023-09-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights for selective disruption of Beclin 1 binding to Bcl-2.
Commun Biol, 6, 2023
8TNS
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BU of 8tns by Molmil
Solution structure of poly(UG) RNA (GU)12 G-quadruplex
分子名称: RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*U)-3')
著者Escobar, C.A, Petersen, R, Butcher, S.E.
登録日2023-08-02
公開日2023-11-15
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Solution Structure of Poly(UG) RNA.
J.Mol.Biol., 435, 2023
5U33
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BU of 5u33 by Molmil
Crystal structure of AacC2c1-sgRNA-extended non-target DNA ternary complex
分子名称: CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ...
著者Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J.
登録日2016-12-01
公開日2017-01-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease.
Cell, 167, 2016
5UCU
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STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS
分子名称: HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R.
登録日2016-12-22
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products.
J. Biol. Chem., 292, 2017
6JZI
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BU of 6jzi by Molmil
Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S.
登録日2019-05-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
7UAV
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Structure of Clostridium botulinum prophage Tad1 in apo state
分子名称: ABC transporter ATPase
著者Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J.
登録日2022-03-14
公開日2022-10-05
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
6K1J
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Human nucleosome core particle with H2A.X variant
分子名称: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
著者Sharma, D, De Falco, L, Davey, C.A.
登録日2019-05-10
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
7UAW
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Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR
分子名称: (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase
著者Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J.
登録日2022-03-14
公開日2022-10-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
7UF9
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CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFD
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Human CYP3A4 bound to an inhibitor
分子名称: (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFC
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Human CYP3A4 bound to an inhibitor
分子名称: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFF
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Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide, PHOSPHATE ION, ...
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFE
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Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ...
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFA
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CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022

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