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7W0K
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plant glycosyltransferase
分子名称: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Wei, H, Feng, L.
登録日2021-11-18
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
7W1B
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BU of 7w1b by Molmil
Glycosyltransferase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIGITOXIGENIN, Glycosyltransferase, ...
著者Wei, H, Feng, L.
登録日2021-11-19
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
2KIU
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BU of 2kiu by Molmil
Solution structure and backbone dynamics of the DNA-binding domain of FOXP1: Insight into its domain swapping
分子名称: Forkhead box protein P1
著者Chuang, W, Chu, Y.
登録日2009-05-11
公開日2010-04-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of the DNA-binding domain of FOXP1: Insight into its domain swapping and DNA binding.
Protein Sci., 20, 2011
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
分子名称: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
著者Murray, J.M.
登録日2017-05-31
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
1VZB
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BU of 1vzb by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q BINARY COMPLEX WITH DUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
登録日1996-09-18
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZE
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L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH DUMP AND CB3717
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
登録日1996-09-18
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZD
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L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH FDUMP AND CB3717
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
登録日1996-09-18
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZC
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BU of 1vzc by Molmil
L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q BINARY COMPLEX WITH FDUMP
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
登録日1996-09-18
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
1VZA
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THYMIDYLATE SYNTHASE E60D MUTANT BINARY COMPLEX WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Birdsall, D.L, Finer-Moore, J, Stroud, R.M.
登録日1996-09-18
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
4U3F
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BU of 4u3f by Molmil
Cytochrome bc1 complex from chicken with designed inhibitor bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ...
著者Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A.
登録日2014-07-21
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2312 Å)
主引用文献Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Sci Rep, 5, 2015
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
分子名称: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2017-05-03
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
7LRF
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BU of 7lrf by Molmil
Netrin-1 in complex with SOS
分子名称: 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Gupta, M, McDougall, M, Torres, A.M, Stetefeld, J.
登録日2021-02-16
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation.
Nat Commun, 14, 2023
7LER
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BU of 7ler by Molmil
Netrin-1 filament assembly
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin-1, ...
著者McDougall, M, Gupta, M, Stetefeld, J.
登録日2021-01-14
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (5.99 Å)
主引用文献The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation.
Nat Commun, 14, 2023
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
1D2B
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BU of 1d2b by Molmil
THE MMP-INHIBITORY, N-TERMINAL DOMAIN OF HUMAN TISSUE INHIBITOR OF METALLOPROTEINASES-1 (N-TIMP-1), SOLUTION NMR, 29 STRUCTURES
分子名称: Metalloproteinase inhibitor 1
著者Wu, B, Arumugam, S, Semenchenko, V, Brew, K, Van Doren, S.R.
登録日1999-09-22
公開日1999-12-22
最終更新日2022-03-23
実験手法SOLUTION NMR
主引用文献NMR structure of tissue inhibitor of metalloproteinases-1 implicates localized induced fit in recognition of matrix metalloproteinases.
J.Mol.Biol., 295, 2000
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
分子名称: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-07-10
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
8CWV
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BU of 8cwv by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing nanobody 2-31 and a human antibody CC12.1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-05-19
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CWU
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BU of 8cwu by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing nanobody 1-21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VHH 1-21
著者Liu, H, Wilson, I.A.
登録日2022-05-19
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
7BTN
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BU of 7btn by Molmil
Crystal structure of human inorganic pyrophosphatase with metal ions
分子名称: Inorganic pyrophosphatase, MAGNESIUM ION
著者Hu, F, Huang, Z, Li, L.
登録日2020-04-02
公開日2020-10-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Structural and biochemical characterization of inorganic pyrophosphatase from Homo sapiens.
Biochem.Biophys.Res.Commun., 533, 2020
8E0G
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BU of 8e0g by Molmil
Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
著者Munro, T.A.
登録日2022-08-09
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21, 2023
3KCU
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Structure of formate channel
分子名称: 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY RAN-3,4,5-TRIOL, Probable formate transporter 1
著者Wang, Y, Huang, Y, Wang, J, Yan, N, Shi, Y.
登録日2009-10-22
公開日2009-12-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Nature, 462, 2009
3KCV
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Structure of formate channel
分子名称: Probable formate transporter 1
著者Wang, Y, Huang, Y, Wang, J, Yan, N, Shi, Y.
登録日2009-10-22
公開日2009-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.198 Å)
主引用文献Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Nature, 462, 2009
4APV
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BU of 4apv by Molmil
The Klebsiella pneumoniae primosomal PriB protein: identification, crystal structure, and ssDNA binding mode
分子名称: PRIMOSOMAL REPLICATION PROTEIN N
著者Lo, Y.H, Huang, Y.H, Hsiao, C.D, Huang, C.Y.
登録日2012-04-06
公開日2012-04-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Crystal Structure and DNA-Binding Mode of Klebsiella Pneumoniae Primosomal Prib Protein.
Genes Cells, 17, 2012
4R4B
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BU of 4r4b by Molmil
Crystal structure of the anti-hiv-1 antibody 2.2c
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 2.2C HEAVY CHAIN, FAB 2.2C LIGHT CHAIN, ...
著者McLellan, J.S, Acharya, P, Huang, C.-C, Robinson, J, Kwong, P.D.
登録日2014-08-19
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014

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