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6DES
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Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2O2V
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BU of 2o2v by Molmil
Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
分子名称: Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 3
著者Filippakopoulos, P, Savitsky, P, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2006-11-30
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
To be Published
2O3D
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Structure of human SF2/ASF RNA recognition motif 2 (RRM2)
分子名称: Splicing factor, arginine/serine-rich 1
著者Tintaru, A.M, Hautbergue, G.M, Hounslow, A.M, Lian, L.Y, Craven, C.J, Wilson, S.A.
登録日2006-12-01
公開日2007-10-16
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of RNA and TAP binding to SF2/ASF.
Embo Rep., 8, 2007
7CU5
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BU of 7cu5 by Molmil
N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab
分子名称: 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, Programmed cell death protein 1, ...
著者Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F.
登録日2020-08-21
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
6DIM
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BU of 6dim by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak
分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-23
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
2NTH
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BU of 2nth by Molmil
Structure of Spin-labeled T4 Lysozyme Mutant L118R1
分子名称: Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2006-11-07
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
5I20
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Crystal structure of protein
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, SULFATE ION, Uncharacterized protein
著者Ishitani, R, Nureki, O.
登録日2016-02-08
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for amino acid export by DMT superfamily transporter YddG.
Nature, 534, 2016
7CIK
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BU of 7cik by Molmil
Structure of the 58-213 fragment of FliF
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Flagellar M-ring protein
著者Takekawa, T, Sakuma, M, Kojima, S, Homma, M, Imada, K.
登録日2020-07-07
公開日2021-02-17
最終更新日2021-09-01
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Two Distinct Conformations in 34 FliF Subunits Generate Three Different Symmetries within the Flagellar MS-Ring.
Mbio, 12, 2021
7CEE
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BU of 7cee by Molmil
Crystal structure of mouse neuroligin-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-3
著者Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
登録日2020-06-23
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.763 Å)
主引用文献Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
6DQB
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LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
7CEG
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Crystal structure of the complex between mouse PTP delta and neuroligin-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform C of Receptor-type tyrosine-protein phosphatase delta, Neuroligin-3
著者Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
登録日2020-06-23
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
6DCQ
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BU of 6dcq by Molmil
Ectodomain of full length, wild type HIV-1 glycoprotein clone PC64M18C043 in complex with PGT151 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rantalainen, K.
登録日2018-05-08
公開日2018-06-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
5IW6
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BU of 5iw6 by Molmil
anti-CD20 monoclonal antibody Fc fragment
分子名称: Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Tang, C, Chen, Z.
登録日2016-03-22
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure of anti-CD20 monoclonal antibody Fc fragment at 2.34 Angstroms resolution
To Be Published
2NY3
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BU of 2ny3 by Molmil
HIV-1 gp120 Envelope Glycoprotein (K231C, T257S, E267C, S334A, S375W) Complexed with CD4 and Antibody 17b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2O0A
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BU of 2o0a by Molmil
The structure of the C-terminal domain of Vik1 has a motor domain fold but lacks a nucleotide-binding site.
分子名称: 1,2-ETHANEDIOL, S.cerevisiae chromosome XVI reading frame ORF YPL253c
著者Allingham, J.S, Sproul, L.R, Rayment, I, Gilbert, S.P.
登録日2006-11-27
公開日2007-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Vik1 modulates microtubule-Kar3 interactions through a motor domain that lacks an active site.
Cell(Cambridge,Mass.), 128, 2007
6CDI
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BU of 6cdi by Molmil
Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, Glycoprotein 120, ...
著者Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CB0
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Crystal Structure of the FAK FERM domain
分子名称: Focal adhesion kinase 1
著者Dementiev, A, Marlowe, T.
登録日2018-02-01
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献High resolution crystal structure of the FAK FERM domain reveals new insights on the Druggability of tyrosine 397 and the Src SH3 binding site.
BMC Mol Cell Biol, 20, 2019
5IVY
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Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
分子名称: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
2NTF
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Crystal Structure of a Quorum-Quenching Antibody in Complex with an N-Acyl-L-Homoserine Lactone Analog
分子名称: 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE, Murine Antibody Fab RS2-1G9 IGG1 Heavy Chain, Murine Antibody Fab RS2-1G9 Lambda Light Chain
著者Debler, E.W, Wilson, I.A.
登録日2006-11-07
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Crystal Structures of a Quorum-quenching Antibody.
J.Mol.Biol., 368, 2007
5IWJ
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LAmbda-[Ru(TAP)2(dppz)]2+ bound to d(CCGGGCCCGG
分子名称: BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*GP*CP*CP*CP*GP*G)-3'), Ru(tap)2(dppz) complex
著者Souter, J.E, Hall, J.P, Cardin, C.J.
登録日2016-03-22
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The binding specificity of RuTAP2dppz
To Be Published
2NV4
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Crystal structure of UPF0066 protein AF0241 in complex with S-adenosylmethionine. Northeast Structural Genomics Consortium target GR27
分子名称: ACETATE ION, S-ADENOSYLMETHIONINE, UPF0066 protein AF_0241
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-10
公開日2006-11-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional insights from structural genomics.
J.Struct.Funct.Genom., 8, 2007
5J1W
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Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)
分子名称: Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ...
著者Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-29
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
5J3W
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Crystal structures reveal signaling states of a short blue light photoreceptor protein PpSB1-LOV (dark state)
分子名称: FLAVIN MONONUCLEOTIDE, Sensory box protein
著者Granzin, J, Batra-Safferling, R.
登録日2016-03-31
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Signaling States of a Short Blue-Light Photoreceptor Protein PpSB1-LOV Revealed from Crystal Structures and Solution NMR Spectroscopy.
J.Mol.Biol., 428, 2016
5GVC
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Human Topoisomerase IIIb topo domain
分子名称: DNA topoisomerase 3-beta-1, MAGNESIUM ION
著者Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S.
登録日2016-09-05
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
2L5N
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NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B
分子名称: YbbR family protein
著者Cort, J.R, Barb, A.W, Lee, H, Ramelot, T.A, Yang, Y, Belote, R.L, Ciccosanti, C.R, Haleema, J, Acton, T.B, Xiao, R.R, Everett, J.K, Montelione, G.T, Prestegard, J.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2010-11-02
公開日2010-12-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Protein Sci., 20, 2011

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