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6A5H
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BU of 6a5h by Molmil
The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of unidentified natural product
Descriptor: 101015D
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-23
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.618 Å)
Cite:Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
6B1V
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BU of 6b1v by Molmil
Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-09-19
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
Authors:Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
6B0K
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BU of 6b0k by Molmil
Crystal structure of Ps i-CgsB C78S in complex with k-carrapentaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A, Boraston, A.B.
Deposit date:2017-09-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
6B0J
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BU of 6b0j by Molmil
Crystal structure of Ps i-CgsB in complex with k-i-k-neocarrahexaose
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-09-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
6BJ3
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BU of 6bj3 by Molmil
TCR55 in complex with HIV(Pol448-456)/HLA-B35
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HIV Pol B35 peptide, ...
Authors:Jude, K.M, Sibener, L.V, Garcia, K.C.
Deposit date:2017-11-03
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
6BJ2
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BU of 6bj2 by Molmil
TCR589 in complex with HIV(Pol448-456)/HLA-B35
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Jude, K.M, Sibener, L.V, Garcia, K.C.
Deposit date:2017-11-03
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
Descriptor: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
Authors:Srinivas, H.
Deposit date:2022-09-02
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
6BIA
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BU of 6bia by Molmil
Crystal structure of Ps i-CgsB
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-11-01
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
8J72
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BU of 8j72 by Molmil
Crystal structure of mammalian Trim71 in complex with lncRNA Trincr1
Descriptor: E3 ubiquitin-protein ligase TRIM71, lncRNA Trincr1
Authors:Shi, F.D, Zhang, K, Che, S.Y, Zhi, S.X, Yang, N.
Deposit date:2023-04-27
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Molecular mechanism governing RNA-binding property of mammalian TRIM71 protein.
Sci Bull (Beijing), 69, 2024
6BJ8
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BU of 6bj8 by Molmil
TCR55 in complex with Pep20/HLA-B35
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Jude, K.M, Sibener, L.V, Yang, X, Garcia, K.C.
Deposit date:2017-11-05
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
6CO4
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BU of 6co4 by Molmil
Structure of the Rpn13-Rpn2 complex provides insights for Rpn13 and Uch37 as anticancer targets
Descriptor: 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1
Authors:Lu, X, Walters, K.J.
Deposit date:2018-03-11
Release date:2018-04-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Rpn13-Rpn2 complex provides insights for Rpn13 and Uch37 as anticancer targets.
Nat Commun, 8, 2017
4NPM
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BU of 4npm by Molmil
Crystal structure of Zebrafish ALKBH5 in complex with succinic acid
Descriptor: MANGANESE (II) ION, RNA demethylase ALKBH5, SUCCINIC ACID
Authors:He, C, Chen, W, Zhang, L.
Deposit date:2013-11-21
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Crystal structure of the RNA demethylase ALKBH5 from zebrafish.
Febs Lett., 588, 2014
4NPL
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BU of 4npl by Molmil
Crystal structure of Zebrafish ALKBH5 in complex with alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5
Authors:He, C, Chen, W, Zhang, L.
Deposit date:2013-11-21
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Crystal structure of the RNA demethylase ALKBH5 from zebrafish.
Febs Lett., 588, 2014
6O48
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BU of 6o48 by Molmil
Wild-type HIV-1 protease in complex with a substrate analog CA-p2
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Wang, Y.-F, Liu, F, Weber, I.T.
Deposit date:2019-02-28
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
2KBU
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BU of 2kbu by Molmil
NMR solution structure of Pin1 WW domain mutant with beta turn mimic at position 12
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Fuller, A.A, Bhabha, G, Case, D.A.
Deposit date:2008-12-08
Release date:2009-07-07
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Evaluating beta-turn mimics as beta-sheet folding nucleators.
Proc.Natl.Acad.Sci.USA, 106, 2009
2HS1
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BU of 2hs1 by Molmil
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Weber, I.T, Kovalevsky, A.Y.
Deposit date:2006-07-20
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
8W8D
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BU of 8w8d by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by Rof
Descriptor: Protein rof, Transcription termination factor Rho
Authors:Zhang, J, Wang, C.
Deposit date:2023-09-01
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program.
Nat Commun, 15, 2024
1HTV
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BU of 1htv by Molmil
CRYSTAL STRUCTURE OF DESTRIPEPTIDE (B28-B30) INSULIN
Descriptor: INSULIN, ZINC ION
Authors:Ye, J, Chang, W, Liang, D.
Deposit date:2001-01-01
Release date:2001-05-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of destripeptide (B28-B30) insulin: implications for insulin dissociation.
Biochim.Biophys.Acta, 1547, 2001
6JYJ
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BU of 6jyj by Molmil
Crystal structure of FAM46B (TENT5B)
Descriptor: CITRATE ANION, Terminal nucleotidyltransferase 5B
Authors:Zhang, H, Hu, J.L, Gao, S.
Deposit date:2019-04-26
Release date:2020-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.693199 Å)
Cite:FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
7BI9
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BU of 7bi9 by Molmil
PI3KC2a core in complex with PIK90
Descriptor: 1,2-ETHANEDIOL, N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
Authors:Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
Deposit date:2021-01-12
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
7BI4
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BU of 7bi4 by Molmil
PI3KC2a core apo
Descriptor: 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION
Authors:Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
Deposit date:2021-01-12
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
7BI6
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BU of 7bi6 by Molmil
PI3KC2a core in complex with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
Deposit date:2021-01-12
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
7BI2
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BU of 7bi2 by Molmil
PI3KC2aDeltaN and DeltaC-C2
Descriptor: 1,2-ETHANEDIOL, 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, IODIDE ION, ...
Authors:Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
Deposit date:2021-01-12
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
8IGZ
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BU of 8igz by Molmil
Xcc NAMPT Quadruple mutant
Descriptor: Pre-B cell enhancing factor related protein
Authors:Xu, G.L, Ming, Z.H.
Deposit date:2023-02-21
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway.
Commun Biol, 7, 2024

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数据于2024-07-10公开中

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