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2FLU
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BU of 2flu by Molmil
Crystal Structure of the Kelch-Neh2 Complex
Descriptor: Kelch-like ECH-associated protein 1, Nrf2
Authors:Li, X, Lo, J, Beamer, L, Hannink, M.
Deposit date:2006-01-06
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Keap1:Nrf2 interface provides mechanistic insight into Nrf2 signaling.
Embo J., 25, 2006
4YMQ
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BU of 4ymq by Molmil
X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist
Descriptor: 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:li, X.
Deposit date:2015-03-07
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators.
Bioorg.Med.Chem.Lett., 25, 2015
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Li, X.
Deposit date:2017-09-23
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
5EE9
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BU of 5ee9 by Molmil
Complex structure of OSYCHF1 with GMP-PNP
Descriptor: GLYCEROL, MAGNESIUM ION, Obg-like ATPase 1, ...
Authors:Li, X, Chen, Z.
Deposit date:2015-10-22
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses
Proc.Natl.Acad.Sci.USA, 113, 2016
5EE1
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BU of 5ee1 by Molmil
Crystal structure of OsYchF1 at pH 7.85
Descriptor: Obg-like ATPase 1
Authors:Li, X, Chen, Z.
Deposit date:2015-10-22
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses
Proc.Natl.Acad.Sci.USA, 113, 2016
5EE3
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BU of 5ee3 by Molmil
COMPLEX STRUCTURE OF OSYCHF1 WITH AMP-PNP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Li, X, Chen, Z.
Deposit date:2015-10-22
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses
Proc.Natl.Acad.Sci.USA, 113, 2016
5EE0
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BU of 5ee0 by Molmil
Crystal structure of OsYchF1 at pH 6.5
Descriptor: Obg-like ATPase 1
Authors:Li, X, Chen, Z.
Deposit date:2015-10-22
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses
Proc.Natl.Acad.Sci.USA, 113, 2016
3NDM
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BU of 3ndm by Molmil
Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative
Descriptor: (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide, Rho-Associated Protein Kinase (ROCK1)
Authors:Li, X.
Deposit date:2010-06-07
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.
Bioorg.Med.Chem.Lett., 20, 2010
7LIB
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BU of 7lib by Molmil
X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit
Descriptor: Cyclic peptide ORD-TYR-LEU-LEU-PHI-TYR-THR-GLU-GMO-LYS-VAL-THR-MVA-THR-VAL-LYS
Authors:Wierzbicki, M, Nowick, J.S, Li, X.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An Improved Turn Structure for Inducing beta-Hairpin Formation in Peptides.
Angew.Chem.Int.Ed.Engl., 60, 2021
7N4V
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BU of 7n4v by Molmil
Structure of cholesterol-bound human NPC1L1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, X, Long, T.
Deposit date:2021-06-04
Release date:2021-09-01
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structures of dimeric human NPC1L1 provide insight into mechanisms for cholesterol absorption.
Sci Adv, 7, 2021
7N4U
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BU of 7n4u by Molmil
Structure of human NPC1L1
Descriptor: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, X, Long, T.
Deposit date:2021-06-04
Release date:2021-09-01
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structures of dimeric human NPC1L1 provide insight into mechanisms for cholesterol absorption.
Sci Adv, 7, 2021
7N4X
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BU of 7n4x by Molmil
Structure of human NPC1L1 mutant-W347R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Li, X, Long, T.
Deposit date:2021-06-04
Release date:2021-09-01
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structures of dimeric human NPC1L1 provide insight into mechanisms for cholesterol absorption.
Sci Adv, 7, 2021
2LEF
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BU of 2lef by Molmil
LEF1 HMG DOMAIN (FROM MOUSE), COMPLEXED WITH DNA (15BP), NMR, 12 STRUCTURES
Descriptor: DNA (5'-D(*CP*AP*CP*CP*CP*TP*TP*TP*GP*AP*AP*GP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*CP*TP*TP*CP*AP*AP*AP*GP*GP*GP*TP*G)-3'), PROTEIN (LYMPHOID ENHANCER-BINDING FACTOR)
Authors:Li, X, Love, J.J, Case, D.A, Wright, P.E.
Deposit date:1998-10-13
Release date:1998-10-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for DNA bending by the architectural transcription factor LEF-1.
Nature, 376, 1995
4RED
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BU of 4red by Molmil
Crystal structure of human AMPK alpha1 KD-AID with K43A mutation
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1
Authors:Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
Deposit date:2014-09-22
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
4RER
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BU of 4rer by Molmil
Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ...
Authors:Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
Deposit date:2014-09-23
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.047 Å)
Cite:Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
4REW
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BU of 4rew by Molmil
Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
Deposit date:2014-09-24
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.58 Å)
Cite:Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
6C9U
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BU of 6c9u by Molmil
Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab)
Descriptor: 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4, Heavy chain of Fab 1B2, ...
Authors:Deis, L.N, Li, X, Mathews, I.I, Khosla, C.
Deposit date:2018-01-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Function Analysis of the Extended Conformation of a Polyketide Synthase Module.
J. Am. Chem. Soc., 140, 2018
3NCZ
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BU of 3ncz by Molmil
X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor
Descriptor: Rho-associated protein kinase 1, cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
Authors:Li, X.
Deposit date:2010-06-06
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 2, optimization for blood pressure reduction in spontaneously hypertensive rats.
Bioorg.Med.Chem.Lett., 20, 2010
6MLK
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BU of 6mlk by Molmil
Structure of Thioesterase from DEBS with a thioesterase-specific antibody
Descriptor: 6-deoxyerythronolide-B synthase EryA3, modules 5 and 6, CHLORIDE ION, ...
Authors:Mathews, I.I, Li, X, Khosla, C.
Deposit date:2018-09-27
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery and Characterization of a Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase.
Biochemistry, 57, 2018
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
Authors:Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-04-19
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-27
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
6N7R
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BU of 6n7r by Molmil
Saccharomyces cerevisiae spliceosomal E complex (ACT1)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-28
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-05-15
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMX
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BU of 7xmx by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMZ
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BU of 7xmz by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022

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