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PDB: 837 results

5BU3
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Crystal Structure of Diels-Alderase PyrI4 in complex with its product
Descriptor: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4
Authors:Pan, L, Guo, Y, Liu, J.
Deposit date:2015-06-03
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
2AZX
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Charged and uncharged tRNAs adopt distinct conformations when complexed with human tryptophanyl-tRNA synthetase
Descriptor: 72-MER, GLYCEROL, MAGNESIUM ION, ...
Authors:Yang, X.L, Otero, F.J, Ewalt, K.L, Liu, J, Swairjo, M.A, Kohrer, C, RajBhandary, U.L, Skene, R.J, McRee, D.E, Schimmel, P.
Deposit date:2005-09-12
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis.
Embo J., 25, 2006
1OSZ
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MHC CLASS I H-2KB HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND AN (L4V) MUTANT OF THE VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN
Descriptor: BETA-2 MICROGLOBULIN, MHC CLASS I H-2KB HEAVY CHAIN, VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN
Authors:Ghendler, Y, Teng, M.-K, Liu, J.-H, Witte, T, Liu, J, Kim, K.S, Kern, P, Chang, H.-C, Wang, J.-H, Reinherz, E.L.
Deposit date:1998-06-18
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differential thymic selection outcomes stimulated by focal structural alteration in peptide/major histocompatibility complex ligands.
Proc.Natl.Acad.Sci.USA, 95, 1998
1W1I
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Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H.
Deposit date:2004-06-22
Release date:2004-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface.
J. Biol. Chem., 279, 2004
2Z6H
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Crystal Structure of Beta-Catenin Armadillo Repeat Region and Its C-Terminal domain
Descriptor: Catenin beta-1
Authors:Xing, Y, Takemaru, K, Liu, J, Zheng, J, Moon, R, Xu, W.
Deposit date:2007-08-01
Release date:2008-02-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Full-Length beta-Catenin
Structure, 16, 2008
2Z6G
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Crystal Structure of a Full-Length Zebrafish Beta-Catenin
Descriptor: B-catenin
Authors:Xing, Y, Takemaru, K, Liu, J, Zheng, J, Moon, R, Xu, W.
Deposit date:2007-08-01
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of a Full-Length beta-Catenin
Structure, 16, 2008
1LSL
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Crystal Structure of the Thrombospondin-1 Type 1 Repeats
Descriptor: Thrombospondin 1, alpha-L-fucopyranose, beta-L-fucopyranose
Authors:Tan, K, Duquette, M, Liu, J, Dong, Y, Zhang, R, Joachimiak, A, Lawler, J, Wang, J.-H.
Deposit date:2002-05-17
Release date:2002-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the TSP-1 type 1 repeats: a novel layered fold and its biological implication.
J.Cell Biol., 159, 2002
1HUO
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BU of 1huo by Molmil
CRYSTAL STRUCTURE OF DNA POLYMERASE BETA COMPLEXED WITH DNA AND CR-TMPPCP
Descriptor: 5'-D(*AP*AP*TP*AP*GP*GP*CP*GP*TP*CP*G)-3', 5'-D(P*CP*GP*AP*CP*GP*CP*C)-3', CHROMIUM ION, ...
Authors:Arndt, J.W, Gong, W, Zhong, X, Showalter, A.K, Liu, J, Lin, Z, Paxson, C, Tsai, M.-D, Chan, M.K.
Deposit date:2001-01-04
Release date:2001-04-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insight into the catalytic mechanism of DNA polymerase beta: structures of intermediate complexes.
Biochemistry, 40, 2001
1HUZ
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BU of 1huz by Molmil
CRYSTAL STRUCTURE OF DNA POLYMERASE COMPLEXED WITH DNA AND CR-PCP
Descriptor: 5'-D(*AP*AP*TP*AP*GP*GP*CP*GP*TP*CP*G)-3', 5'-D(P*CP*GP*AP*CP*GP*CP*CP*T)-3', CHROMIUM ION, ...
Authors:Arndt, J.W, Gong, W, Zhong, X, Showalter, A.K, Liu, J, Lin, Z, Paxson, C, Tsai, M.-D, Chan, M.K.
Deposit date:2001-01-04
Release date:2001-04-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insight into the catalytic mechanism of DNA polymerase beta: structures of intermediate complexes.
Biochemistry, 40, 2001
2MWN
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Talin-F3 / RIAM N-terminal Peptide complex
Descriptor: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, Talin-1
Authors:Yang, J, Zhu, L, Zhang, H, Hirbawi, J, Fukuda, K, Dwivedi, P, Liu, J, Byzova, T, Plow, E.F, Wu, J, Qin, J.
Deposit date:2014-11-13
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational activation of talin by RIAM triggers integrin-mediated cell adhesion.
Nat Commun, 5, 2014
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-10-02
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7KBG
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BU of 7kbg by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)
Descriptor: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-10-02
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
3UUF
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BU of 3uuf by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ...
Authors:Xu, T, Xu, J, Hou, S, Liu, J.
Deposit date:2011-11-28
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Guo, G, Wang, B, Liu, J, Liu, Q.
Deposit date:2022-10-27
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
3UUE
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Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
Descriptor: CHLORIDE ION, GLYCEROL, LIP1, ...
Authors:Xu, T, Xu, J, Hou, S, Liu, J.
Deposit date:2011-11-28
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
6CHH
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BU of 6chh by Molmil
Structure of human NNMT in complex with bisubstrate inhibitor MS2756
Descriptor: (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL, Nicotinamide N-methyltransferase
Authors:Babault, N, Liu, J, Jin, J.
Deposit date:2018-02-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
2LUH
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BU of 2luh by Molmil
NMR structure of the Vta1-Vps60 complex
Descriptor: Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60
Authors:Yang, Z, Vild, C, Ju, J, Zhang, X, Liu, J, Shen, J, Zhao, B, Lan, W, Gong, F, Liu, M, Cao, C, Xu, Z.
Deposit date:2012-06-13
Release date:2012-11-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway.
J.Biol.Chem., 287, 2012
1J4J
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BU of 1j4j by Molmil
Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl Coenzyme A
Descriptor: ACETYL COENZYME *A, TABTOXIN RESISTANCE PROTEIN
Authors:He, H, Ding, Y, Bartlam, M, Zhang, R, Duke, N, Joachimiak, A, Shao, Y, Cao, Z, Tang, H, Liu, Y, Jiang, F, Liu, J, Zhao, N, Rao, Z.
Deposit date:2001-10-02
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.
J.Mol.Biol., 325, 2003
6U7V
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BU of 6u7v by Molmil
xRRM structure of spPof8
Descriptor: NITRATE ION, Protein pof8
Authors:Kim, J.-K, Hu, X, Yu, C, Jun, H.-I, Liu, J, Sankaran, B, Huang, L, Qiao, F.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Quality-Control Mechanism for Telomerase RNA Folding in the Cell.
Cell Rep, 33, 2020
7SCD
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Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5
Authors:Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C.
Deposit date:2021-09-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
7SCE
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BU of 7sce by Molmil
Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-2 octasaccharide substrate and co-factor product PAP
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5
Authors:Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C.
Deposit date:2021-09-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
8DSP
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BU of 8dsp by Molmil
Cryo-EM structure of the proximal half fiber in del7.3K2R1 mature phage
Descriptor: Tail fiber protein
Authors:Wang, C, Liu, J, Molineux, I.J.
Deposit date:2022-07-22
Release date:2023-07-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Asymmetric reconstruction of gp8-gp11 with terminal dsDNA associated from the del7.3K2R1.
To Be Published
8EAO
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BU of 8eao by Molmil
Cryo-EM structure of the in-situ gp1-gp4 complex from bacteriophage P22
Descriptor: Peptidoglycan hydrolase gp4, Portal protein
Authors:Wang, C, Liu, J, Molineux, I.J.
Deposit date:2022-08-29
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:In-situ structure of tail machine reveals mechanistic insights into P22 assembly.
To Be Published
8EAN
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BU of 8ean by Molmil
Cryo-EM structure of in-situ tailspike in bacteriophage P22
Descriptor: Tail spike protein
Authors:Wang, C, Liu, J, Molineux, I.J.
Deposit date:2022-08-29
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:In-situ structure of tail machine reveals mechanistic insights into P22 assembly.
To Be Published
8EB7
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BU of 8eb7 by Molmil
Cryo-EM structure of the in-situ gp4-gp10-gp9N from bacteriophage P22
Descriptor: Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, Tail spike protein
Authors:Wang, C, Liu, J, Molineux, I.J.
Deposit date:2022-08-30
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:In-situ structure of tail machine reveals mechanistic insights into P22 assembly
To Be Published

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