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PDB: 612 results

3PI9
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BU of 3pi9 by Molmil
Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F.
Deposit date:2010-11-05
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:

4FA0
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BU of 4fa0 by Molmil
Crystal structure of human AdPLA to 2.65 A resolution
Descriptor: Group XVI phospholipase A1/A2
Authors:Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R.
Deposit date:2012-05-21
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad.
J.Biol.Chem., 287, 2012
3PIA
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BU of 3pia by Molmil
Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F.
Deposit date:2010-11-05
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:

3AQT
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BU of 3aqt by Molmil
CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL
Descriptor: Bacterial regulatory proteins, tetR family, RESORCINOL
Authors:Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
Deposit date:2010-11-18
Release date:2011-07-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
3PI8
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BU of 3pi8 by Molmil
Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F.
Deposit date:2010-11-05
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:

4J3N
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Human Topoisomerase Iibeta in complex with DNA
Descriptor: DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ...
Authors:Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L.
Deposit date:2013-02-06
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs
Nucleic Acids Res., 41, 2013
3UA0
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BU of 3ua0 by Molmil
N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease
Descriptor: Fibroin heavy chain
Authors:He, Y.-X, Zhang, N.-N, Chen, B.-Y, Li, W.-F, Chen, Y.-X, Zhou, C.-Z.
Deposit date:2011-10-20
Release date:2012-03-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:N-Terminal Domain of Bombyx mori Fibroin Mediates the Assembly of Silk in Response to pH Decrease.
J.Mol.Biol., 418, 2012
5ZQF
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BU of 5zqf by Molmil
Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA in space group P3221
Descriptor: DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, DNA/RNA (5'-D(P*AP*GP*C)-R(P*(IU))-D(P*CP*GP*GP*C)-R(P*(IU))-3'), ...
Authors:Chen, S.F, Wang, Y.R, Chan, N.L.
Deposit date:2018-04-18
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.873 Å)
Cite:Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate.
Nat Commun, 9, 2018
6KGR
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BU of 6kgr by Molmil
LSD1-FCPA-MPE N5 adduct model
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Handa, N, Umehara, T.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
4Q26
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BU of 4q26 by Molmil
Crystal Structure of Galectin-1 in Complex with N-Acetyllactosamine
Descriptor: GLYCEROL, Galectin-1, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-07
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Crystal Structure of Galectin-1 in Complex with N-Acetyllactosamine
To be Published
6KGQ
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BU of 6kgq by Molmil
LSD1-FCPA-MPE five-membered ring adduct model
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Handa, N, Umehara, T.
Deposit date:2019-07-12
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
4Q1P
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BU of 4q1p by Molmil
Galectin-1 in Complex with Ligand NB169
Descriptor: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-04
Release date:2015-10-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Galectin-1 in Complex with Ligand NB169
To be Published
4Q1R
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BU of 4q1r by Molmil
Galectin-1 in Complex with Ligand AN027
Descriptor: Galectin-1, SULFATE ION, propyl 2-(acetylamino)-2-deoxy-4-O-[3-O-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-04
Release date:2015-10-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Galectin-1 in Complex with Ligand AN027
To be Published
5ZRF
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BU of 5zrf by Molmil
Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA and etoposide in space group p21
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, ...
Authors:Chen, S.F, Wang, Y.R, Wu, C.C, Chan, N.L.
Deposit date:2018-04-24
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate.
Nat Commun, 9, 2018
4Q27
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BU of 4q27 by Molmil
Galectin-1 in Complex with a Click-Activated N-Acetyllactosamine
Descriptor: 3-O-prop-2-yn-1-yl-beta-D-galactopyranose-(1-4)-prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside, Galectin-1, SULFATE ION
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-07
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Galectin-1 in Complex with a Click-Activated N-Acetyllactosamine
To be Published
6A7Y
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BU of 6a7y by Molmil
Solution structure of an intermolecular leaped V-shape G-quadruplex
Descriptor: DNA (5'-D(*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*A)-3')
Authors:Wan, C.J, Zhang, N.
Deposit date:2018-07-05
Release date:2018-12-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure of an asymmetric intermolecular leaped V-shape G-quadruplex: selective recognition of the d(G2NG3NG4) sequence motif by a short linear G-rich DNA probe.
Nucleic Acids Res., 47, 2019
4Q2F
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BU of 4q2f by Molmil
Galectin-1 in Complex with Ligand AN020
Descriptor: Galectin-1, SULFATE ION, prop-2-en-1-yl 2-(acetylamino)-4-O-(3-O-{[1-(5-amino-1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranoside
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-08
Release date:2015-10-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Galectin-1 in Complex with Ligand AN020
To be Published
6L6E
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BU of 6l6e by Molmil
Human PDE5 catalytic core in complex with avanafil
Descriptor: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ...
Authors:Hsieh, C.M, Chan, N.L.
Deposit date:2019-10-28
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding.
J.Med.Chem., 63, 2020
7JRJ
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BU of 7jrj by Molmil
Chlamydomonas reinhardtii radial spoke head and neck (recombinant)
Descriptor: Flagellar radial spoke protein 1, Flagellar radial spoke protein 10, Flagellar radial spoke protein 2, ...
Authors:Grossman-Haham, I, Coudray, N, Yu, Z, Wang, F, Zhang, N, Bhabha, G, Vale, R.D.
Deposit date:2020-08-12
Release date:2020-12-16
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structure of the radial spoke head and insights into its role in mechanoregulation of ciliary beating.
Nat.Struct.Mol.Biol., 28, 2021
5HIM
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BU of 5him by Molmil
Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylhomocysteine and dimethylglycine
Descriptor: 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, N,N-DIMETHYLGLYCINE, ...
Authors:Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L.
Deposit date:2016-01-12
Release date:2016-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.338 Å)
Cite:Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity
Sci Rep, 6, 2016
2H5X
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BU of 2h5x by Molmil
RuvA from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA
Authors:Prabu, J.R, Thamotharan, S, Khanduja, J.S, Alipio, E.Z, Kim, C.Y, Waldo, G.S, Terwilliger, T.C, Segelke, B, Lekin, T, Toppani, D, Hung, L.W, Yu, M, Bursey, E, Muniyappa, K, Chandra, N.R, Vijayan, M.
Deposit date:2006-05-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Mycobacterium tuberculosis RuvA, a protein involved in recombination.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
5J7D
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BU of 5j7d by Molmil
Computationally Designed Thioredoxin dF106
Descriptor: COPPER (II) ION, Designed Thioredoxin dF106
Authors:Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R.
Deposit date:2016-04-06
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template.
J.Mol.Biol., 428, 2016
1PVZ
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BU of 1pvz by Molmil
Solution Structure of BmP07, A Novel Potassium Channel Blocker from Scorpion Buthus martensi Karsch, 15 structures
Descriptor: K+ toxin-like peptide
Authors:Wu, H, Zhang, N, Wang, Y, Zhang, Q, Ou, L, Li, M, Hu, G.
Deposit date:2003-06-29
Release date:2004-05-18
Last modified:2018-06-20
Method:SOLUTION NMR
Cite:Solution structure of BmKK2, a new potassium channel blocker from the venom of chinese scorpion Buthus martensi Karsch
PROTEINS, 55, 2004
2D27
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BU of 2d27 by Molmil
Structure of the N-terminal domain of XpsE (crystal form I4122)
Descriptor: type II secretion ATPase XpsE
Authors:Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
Deposit date:2005-09-03
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
2D28
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BU of 2d28 by Molmil
Structure of the N-terminal domain of XpsE (crystal form P43212)
Descriptor: CACODYLATE ION, type II secretion ATPase XpsE
Authors:Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
Deposit date:2005-09-03
Release date:2005-09-20
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005

222036

数据于2024-07-03公开中

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