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1Y55
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Crystal structure of the C122S mutant of E. Coli expressed avidin related protein 4 (AVR4)-biotin complex
分子名称: Avidin-related protein 4/5, BIOTIN, FORMIC ACID
著者Eisenberg-Domovich, Y, Hytonen, V.P, Wilchek, M, Bayer, E.A, Kulomaa, M.S, Livnah, O.
登録日2004-12-02
公開日2005-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献High-resolution crystal structure of an avidin-related protein: insight into high-affinity biotin binding and protein stability.
Acta Crystallogr.,Sect.D, 61, 2005
2P4B
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BU of 2p4b by Molmil
Crystal structure of E.coli RseB
分子名称: Sigma-E factor regulatory protein rseB, octyl beta-D-glucopyranoside
著者Kim, D.Y, Kim, K.K.
登録日2007-03-12
公開日2007-05-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of RseB and a model of its binding mode to RseA
Proc.Natl.Acad.Sci.Usa, 104, 2007
3D2Z
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BU of 3d2z by Molmil
Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the product L-Ala-D-gamma-Glu-L-Lys
分子名称: CHLORIDE ION, L-Ala-D-gamma-Glu-L-Lys peptide, N-acetylmuramoyl-L-alanine amidase amiD, ...
著者Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P.
登録日2008-05-09
公開日2009-06-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
3D2Y
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Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the substrate anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys
分子名称: Anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys, GLYCEROL, N-acetylmuramoyl-L-alanine amidase amiD
著者Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P.
登録日2008-05-09
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
5QCN
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
分子名称: 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ...
著者Sheriff, S.
登録日2017-08-10
公開日2017-11-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
分子名称: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
著者Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-10-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
6ID4
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Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A.
登録日2018-09-08
公開日2019-02-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01.
Nat Commun, 10, 2019
7CBG
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Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
分子名称: (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION
著者Guo, J, Chen, B, Zhou, H.
登録日2020-06-12
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7CBH
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Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
分子名称: Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
著者Guo, J, Chen, B, Zhou, H.
登録日2020-06-12
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
5UJA
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BU of 5uja by Molmil
Cryo-EM structure of bovine multidrug resistance protein 1 (MRP1) bound to leukotriene C4
分子名称: (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, bovine multidrug resistance protein 1 (MRP1),Multidrug resistance-associated protein 1
著者Johnson, Z.L, Chen, J.
登録日2017-01-17
公開日2017-02-22
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural Basis of Substrate Recognition by the Multidrug Resistance Protein MRP1.
Cell, 168, 2017
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
分子名称: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
著者Lansdon, E.B, Parrish, J.
登録日2012-11-30
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
3T91
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Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis
分子名称: MANGANESE (II) ION, Stage II sporulation protein E, alpha-D-mannopyranose, ...
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
登録日2011-08-02
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
J.Mol.Biol., 415, 2012
3T9Q
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Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis (Mn presoaked)
分子名称: MANGANESE (II) ION, Stage II sporulation protein E, beta-D-gulopyranose
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
登録日2011-08-03
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
J.Mol.Biol., 415, 2012
7MJS
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Single-Particle Cryo-EM Structure of Major Facilitator Superfamily Domain containing 2A in complex with LPC-18:3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2AG3 Fab heavy chain, 2AG3 Fab light chain, ...
著者Cater, R.J, Chua, G.L, Erramilli, S.K, Keener, J.E, Choy, B.C, Tokarz, P, Chin, C.F, Quek, D.Q.Y, Kloss, B, Pepe, J.G, Parisi, G, Wong, B.H, Clarke, O.B, Marty, M.T, Kossiakoff, A.A, Khelashvili, G, Silver, D.L, Mancia, F.
登録日2021-04-20
公開日2021-06-16
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural basis of omega-3 fatty acid transport across the blood-brain barrier.
Nature, 595, 2021
6PQQ
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Cryo-EM structure of human TRPA1 C621S mutant in the apo state
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily A member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y.
登録日2019-07-09
公開日2020-01-08
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
6JOK
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BU of 6jok by Molmil
Crystal structure of PDGFRA in complex with sunitinib by soaking
分子名称: CHLORIDE ION, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Platelet-derived growth factor receptor alpha
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of PDGFRA in complex with sunitinib by soaking
To Be Published
5NWP
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Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD
分子名称: Adhesin, SULFATE ION
著者Ruer, S, Remaut, H.
登録日2017-05-08
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist.
Nature, 546, 2017
6HCJ
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Structure of the rabbit 80S ribosome on globin mRNA in the rotated state with A/P and P/E tRNAs
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Juszkiewicz, S, Chandrasekaran, V, Lin, Z, Kraatz, S, Ramakrishnan, V, Hegde, R.S.
登録日2018-08-15
公開日2018-10-17
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献ZNF598 Is a Quality Control Sensor of Collided Ribosomes.
Mol. Cell, 72, 2018
2JAV
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BU of 2jav by Molmil
Human Kinase with pyrrole-indolinone ligand
分子名称: 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
著者Pike, A.C.W, Rellos, P, Das, S, Fedorov, O, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A.P, Gorrec, F, Bray, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-11-30
公開日2006-12-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Regulation of the Human Nek2 Centrosomal Kinase
J.Biol.Chem., 282, 2007
6PTS
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NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B.
登録日2019-07-16
公開日2020-05-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PTW
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NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B.
登録日2019-07-16
公開日2020-05-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
3GHQ
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Crystal Structure of E. coli W35F BFR mutant
分子名称: Bacterioferritin, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Crow, A, Lawson, T.L, Lewin, A, Moore, G.R, Le Brun, N.E.
登録日2009-03-04
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Monitoring the iron status of the ferroxidase center of Escherichia coli bacterioferritin using fluorescence spectroscopy.
Biochemistry, 48, 2009
4DKP
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BU of 4dkp by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ...
著者Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D.
登録日2012-02-03
公開日2012-05-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7978 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
1NI7
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NORTHEAST STRUCTURAL GENOMIC CONSORTIUM TARGET ER75
分子名称: Hypothetical protein ygdK
著者Liu, G, Chiang, Y, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2002-12-21
公開日2003-06-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-quality homology models derived from NMR and X-ray structures of E. coli proteins YgdK and Suf E suggest that all members of the YgdK/Suf E protein family are enhancers of cysteine desulfurases.
Protein Sci., 14, 2005
2WJM
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Lipidic sponge phase crystal structure of the photosynthetic reaction centre from Blastochloris viridis (low dose)
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Woehri, A.B, Wahlgren, W.Y, Malmerberg, E, Johansson, L.C, Neutze, R, Katona, G.
登録日2009-05-27
公開日2009-09-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Lipidic sponge phase crystal structure of a photosynthetic reaction center reveals lipids on the protein surface.
Biochemistry, 48, 2009

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