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6VTQ
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BU of 6vtq by Molmil
Crystal structure of G16C human Galectin-7 mutant in complex with lactose
分子名称: GLYCEROL, Galectin-7, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
7OEM
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BU of 7oem by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ120
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
4XL9
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BU of 4xl9 by Molmil
Tailspike protein mutant D339A of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
2N4F
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BU of 2n4f by Molmil
EC-NMR Structure of Arabidopsis thaliana At2g32350 Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target AR3433A
分子名称: uncharacterized protein AR3433A
著者Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-17
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2WTO
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BU of 2wto by Molmil
Crystal Structure of Apo-form Czce from C. metallidurans CH34
分子名称: CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN
著者Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J.
登録日2009-09-18
公開日2010-08-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
5XWU
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BU of 5xwu by Molmil
Crystal structure of PTPdelta Ig1-Ig3 in complex with SALM2 LRR-Ig
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
登録日2017-06-30
公開日2018-06-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.162 Å)
主引用文献Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
6VTR
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BU of 6vtr by Molmil
Crystal structure of G16S human Galectin-7 mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
5DTM
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BU of 5dtm by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD1 [4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide]
分子名称: 4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific
著者Scheufler, C, Be, C, Moebitz, H, Stauffer, F.
登録日2015-09-18
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
4OMB
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BU of 4omb by Molmil
Phosphate binding protein
分子名称: PHOSPHATE ION, PLATINUM (II) ION, Phosphate binding protein
著者Neznansky, A, Opatowsky, Y.
登録日2014-01-27
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Pseudomonas aeruginosa phosphate transport protein PstS plays a phosphate-independent role in biofilm formation.
Faseb J., 28, 2014
4ONH
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BU of 4onh by Molmil
Crystal Structure of DN6 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Roy, S, Adams, E.J.
登録日2014-01-28
公開日2014-10-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.008 Å)
主引用文献Molecular basis of mycobacterial lipid antigen presentation by CD1c and its recognition by alpha beta T cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
5DYO
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BU of 5dyo by Molmil
Fab43.1 complex with flourescein
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fab 43.1 Heavy Chain, Fab 43.1 Light Chain, ...
著者Longenecker, K.L, Judge, R.A.
登録日2015-09-25
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein.
Biopolymers, 105, 2016
2NB8
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BU of 2nb8 by Molmil
Solution structure of C-terminal extramembrane domain of SH protein
分子名称: Small hydrophobic protein
著者Li, Y, To, J, Surya, W, Torres, J.
登録日2016-01-26
公開日2016-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibition of the human respiratory syncytial virus small hydrophobic protein and structural variations in a bicelle environment.
J.Virol., 88, 2014
2WIM
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BU of 2wim by Molmil
Crystal structure of NCAM2 IG1-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAL CELL ADHESION MOLECULE 2
著者Kulahin, N, Kristensen, O, Rasmussen, K, Kastrup, J, Berezin, V, Bock, E, Walmod, P, Gajhede, M.
登録日2009-05-13
公開日2010-08-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural model and trans-interaction of the entire ectodomain of the olfactory cell adhesion molecule.
Structure, 19, 2011
4FVZ
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BU of 4fvz by Molmil
Structure of rat nNOS heme domain in complex with N(omega)-methyl- N(omega)-methoxy-L-arginine
分子名称: (5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
2WJ8
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BU of 2wj8 by Molmil
Respiratory Syncitial Virus RiboNucleoProtein
分子名称: BORATE ION, NUCLEOPROTEIN, RNA (5'-R(*CP*CP*CP*CP*CP*C)-3')
著者Tawar, R.G, Duquerroy, S, Vonrhein, C, Varela, P.F, Damier-Piolle, L, Castagne, N, MacLellan, K, Bedouelle, H, Bricogne, G, Bhella, D, Eleouet, J, Rey, F.A.
登録日2009-05-25
公開日2009-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Crystal Structure of a Nucleocapsid-Like Nucleoprotein-RNA Complex of Respiratory Syncytial Virus
Science, 326, 2009
2Z38
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BU of 2z38 by Molmil
Crystal structure of chloride bound Brassica juncea chitinase catalytic module (Bjchi3)
分子名称: CHLORIDE ION, Chitinase
著者Ubhayasekera, W, Bergfors, T, Mowbray, S.L.
登録日2007-06-02
公開日2007-06-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
4G2L
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BU of 4g2l by Molmil
Human PDE9 in complex with selective compound
分子名称: 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-07-12
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
2N52
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BU of 2n52 by Molmil
The solution structure of the kallikrein inhibitor SPINK6
分子名称: Serine protease inhibitor Kazal-type 6
著者Grotzinger, J.
登録日2015-07-06
公開日2016-03-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The solution structure of the kallikrein-related peptidases inhibitor SPINK6.
Biochem.Biophys.Res.Commun., 471, 2016
5XHI
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BU of 5xhi by Molmil
Crystal structure of Frog M-ferritin D38A mutant
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Jagdev, M.K, Vasudevan, D.
登録日2017-04-21
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104
Biochim. Biophys. Acta, 1865, 2017
7O49
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BU of 7o49 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-04-05
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
4XMY
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BU of 4xmy by Molmil
Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-15
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
2Z4H
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BU of 2z4h by Molmil
Crystal structure of the Cpx pathway activator NlpE from Escherichia coli
分子名称: Copper homeostasis protein cutF, SULFATE ION
著者Hirano, Y, Hossain, M.M, Takeda, K, Tokuda, H, Miki, K.
登録日2007-06-18
公開日2007-09-04
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Studies of the Cpx Pathway Activator NlpE on the Outer Membrane of Escherichia coli
Structure, 15, 2007
6WAP
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BU of 6wap by Molmil
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
分子名称: HIV-1 capsid protein
著者Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T.
登録日2020-03-25
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
1PK4
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BU of 1pk4 by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN PLASMINOGEN KRINGLE 4 REFINED AT 1.9-ANGSTROMS RESOLUTION
分子名称: PLASMINOGEN KRINGLE 4, SULFATE ION
著者Tulinsky, A, Mulichak, A.M.
登録日1991-07-18
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal and molecular structure of human plasminogen kringle 4 refined at 1.9-A resolution.
Biochemistry, 30, 1991
2WLZ
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BU of 2wlz by Molmil
Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline.
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ...
著者Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J.
登録日2009-06-29
公開日2010-03-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010

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