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8GXD
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BU of 8gxd by Molmil
L-LEUCINE DEHYDROGENASE FROM EXIGUOBACTERIUM SIBIRICUM
Descriptor: CALCIUM ION, GLYCEROL, Glu/Leu/Phe/Val dehydrogenase
Authors:Mu, X, Nie, Y, Wu, T, Wang, Y, Zhang, N, Yin, D, Xu, Y.
Deposit date:2022-09-19
Release date:2023-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Reshaping Substrate-Binding Pocket of Leucine Dehydrogenase for Bidirectionally Accessing Structurally Diverse Substrates
Acs Catalysis, 13, 2023
7CPO
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BU of 7cpo by Molmil
Crystal Structure of Anolis carolinensis MHC I complex
Descriptor: HIS-VAL-TYR-GLY-PRO-LEU-LYS-PRO-ILE, MHC CLASS I ANTIGEN, beta2-microglobulin
Authors:Wang, Y, Qu, Z, Ma, L, Wei, X, Zhang, N, Xia, C.
Deposit date:2020-08-07
Release date:2021-01-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of the MHC Class I (MHC-I) Molecule in the Green Anole Lizard Demonstrates the Unique MHC-I System in Reptiles.
J Immunol., 206, 2021
7DMC
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BU of 7dmc by Molmil
Dipyridamole binds to the N-terminal domain of human Hsp90A
Descriptor: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ...
Authors:Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
7DME
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BU of 7dme by Molmil
Solution structure of human Aha1
Descriptor: Activator of 90 kDa heat shock protein ATPase homolog 1
Authors:Hu, H, Zhou, C, Zhang, N.
Deposit date:2020-12-03
Release date:2021-04-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
7DMD
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BU of 7dmd by Molmil
Solution structure of human Aha1 N-terminal domain
Descriptor: Activator of 90 kDa heat shock protein ATPase homolog 1
Authors:Hu, H, Zhou, C, Zhang, N.
Deposit date:2020-12-03
Release date:2021-04-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
Authors:Fu, W.Q, Jing, H.T, Zhang, N.
Deposit date:2020-12-11
Release date:2021-09-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
7EXA
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BU of 7exa by Molmil
Structure of mumps virus nucleoprotein without C-arm
Descriptor: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
Authors:Shen, Q, Shan, H, Zhang, N, Qin, Y.
Deposit date:2021-05-26
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural plasticity of mumps virus nucleocapsids with cryo-EM structures.
Commun Biol, 4, 2021
3MJW
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BU of 3mjw by Molmil
PI3 Kinase gamma with a benzofuranone inhibitor
Descriptor: (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Bard, J, Svenson, K.
Deposit date:2010-04-13
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
7W0X
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BU of 7w0x by Molmil
Tetrameric antiparallel G-quadruplex formed by natural human telomeric sequence
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*A)-3')
Authors:Jing, H.T, Fu, W.Q.
Deposit date:2021-11-18
Release date:2022-01-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of an alternating antiparallel tetrameric G-quadruplex assembled by the single-repeat of human telomeric DNA d(GGGTTA)
To Be Published
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6L6H
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BU of 6l6h by Molmil
Crystal structure of Lpg0189
Descriptor: ACETATE ION, GLYCEROL, Uncharacterized protein Lpg0189
Authors:Ge, H, Chen, X.
Deposit date:2019-10-29
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
6LBE
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BU of 6lbe by Molmil
Crystal structure of bony fish MHC class I binding beta2M-2 for 2.6 angstrom
Descriptor: 9-mer peptide from RNA-DIRECTED RNA POLYMERASE L, Beta-2-microglobulin, MHC class I antigen
Authors:Li, Z.B, Xia, C.
Deposit date:2019-11-14
Release date:2020-11-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
6L6G
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BU of 6l6g by Molmil
Crystal structure of SeMet_Lpg0189
Descriptor: GLYCEROL, Uncharacterized protein Lpg0189
Authors:Ge, H, Chen, X.
Deposit date:2019-10-29
Release date:2019-11-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
6KWK
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BU of 6kwk by Molmil
Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
6LF8
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BU of 6lf8 by Molmil
Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW
Descriptor: ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-11-30
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode.
J Immunol., 208, 2022
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
3NPH
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BU of 3nph by Molmil
Crystal structure of the pfam00427 domain from Synechocystis sp. PCC 6803
Descriptor: Phycobilisome 32.1 kDa linker polypeptide, phycocyanin-associated, rod 2
Authors:Gao, X, Chen, L, Wu, J.-W, Zhang, Y.-Z.
Deposit date:2010-06-28
Release date:2011-06-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Crystal structure of the N-terminal domain of linker L(R) and the assembly of cyanobacterial phycobilisome rods
Mol.Microbiol., 82, 2011
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
4ZLK
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BU of 4zlk by Molmil
Crystal structure of mouse myosin-5a in complex with calcium-bound calmodulin
Descriptor: CALCIUM ION, Calmodulin, Unconventional myosin-Va
Authors:Shen, M, Zhang, N, Zheng, S, Zhang, W.-B, Zhang, H.-M, Lu, Z, Su, Q.P, Sun, Y, Ye, K, Li, X.-D.
Deposit date:2015-05-01
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural basis for calcium regulation of myosin 5 motor function
To Be Published
2AST
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BU of 2ast by Molmil
Crystal structure of Skp1-Skp2-Cks1 in complex with a p27 peptide
Descriptor: BENZAMIDINE, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ...
Authors:Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P.
Deposit date:2005-08-24
Release date:2005-10-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase.
Mol.Cell, 20, 2005
4RBX
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BU of 4rbx by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
Descriptor: Defensin-5, SULFATE ION
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2014-09-13
Release date:2015-07-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015

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