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2G22
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BU of 2g22 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G21
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BU of 2g21 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
8ZJK
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BU of 8zjk by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 3)
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2024-05-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
3CNI
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Crystal structure of a domain of a putative ABC type-2 transporter from Thermotoga maritima MSB8
Descriptor: CALCIUM ION, Putative ABC type-2 transporter
Authors:Filippova, E.V, Shumilin, I, Tkaczuk, K.L, Cymborowski, M, Chruszcz, M, Xu, X, Que, Q, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-25
Release date:2008-04-08
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the putative ABC-type 2 transporter from Thermotoga maritima MSB8.
J.Struct.Funct.Genom., 15, 2014
8W1L
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BU of 8w1l by Molmil
Structure of CSF1R kinase domain in complex with Cpd 32
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor,CSF1R, SULFATE ION, ...
Authors:Kothe, M, Chodaparambil, J.
Deposit date:2024-02-16
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of Selective Imidazopyridine CSF1R Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8ZJI
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BU of 8zji by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 1)
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2024-05-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
6NYT
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Munc13-1 C2B-domain, calcium bound
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-12
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
8ZJM
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BU of 8zjm by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 5)
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2024-05-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.52 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
6NFY
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Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state.
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, 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
Authors:Johnson, E, McTigue, M, Cronin, C.N.
Deposit date:2018-12-21
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
8ZJL
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BU of 8zjl by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 4)
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2024-05-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
8ZJJ
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BU of 8zjj by Molmil
Structure of DOCK5/ELMO1/Rac1 core (RhoG/DOCK5/ELMO1/Rac1 dataset, class 2)
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2024-05-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
6ZCG
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BU of 6zcg by Molmil
Amyloid fibril morphology ii (in vitro) from murine SAA1.1 protein
Descriptor: Serum amyloid A-2 protein
Authors:Bansal, A, Schmidt, M, Fandrich, M.
Deposit date:2020-06-11
Release date:2021-02-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
8XGK
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BU of 8xgk by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8XGV
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BU of 8xgv by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
3VA2
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BU of 3va2 by Molmil
Crystal structure of human Interleukin-5 in complex with its alpha receptor
Descriptor: Interleukin-5, Interleukin-5 receptor subunit alpha
Authors:Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
Deposit date:2011-12-28
Release date:2012-07-25
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structural basis of interleukin-5 dimer recognition by its alpha receptor
Protein Sci., 21, 2012
6G3B
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BU of 6g3b by Molmil
AvaII restriction endonuclease in complex with an RNA/DNA hybrid
Descriptor: DNA (5'-D(*CP*CP*AP*TP*GP*GP*TP*CP*CP*TP*A)-3'), RNA (5'-R(P*GP*UP*AP*GP*GP*AP*CP*CP*AP*UP*G)-3'), Type II site-specific deoxyribonuclease
Authors:Kisiala, M, Kowalska, M, Czapinska, H, Bochtler, M.
Deposit date:2018-03-24
Release date:2019-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation
Nucleic Acids Res., 2020
3VJN
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BU of 3vjn by Molmil
Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP.
Descriptor: Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S.
Deposit date:2011-10-27
Release date:2012-03-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor.
Oncogene, 32, 2013
8XM7
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BU of 8xm7 by Molmil
Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex: RhoG/DOCK5/ELMO1 focused map
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2023-12-27
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.91 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
8ZJ2
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BU of 8zj2 by Molmil
Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2024-05-14
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (4.66 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
3CFX
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BU of 3cfx by Molmil
Crystal structure of M. acetivorans periplasmic binding protein ModA/WtpA with bound tungstate
Descriptor: GLYCEROL, MAGNESIUM ION, TUNGSTATE(VI)ION, ...
Authors:Comellas-Bigler, M, Hollenstein, K, Locher, K.P.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
J.Biol.Inorg.Chem., 14, 2009
1WN6
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BU of 1wn6 by Molmil
Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Tetrahedral Intermediate of Blasticidin S
Descriptor: 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID, ARSENIC, Blasticidin-S deaminase, ...
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
2G2X
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BU of 2g2x by Molmil
X-Ray Crystal Structure Protein Q88CH6 from Pseudomonas putida. Northeast Structural Genomics Consortium Target PpR72.
Descriptor: SULFATE ION, hypothetical protein PP5205
Authors:Kuzin, A.P, Chen, Y, Abashidze, M, Acton, T, Conover, K, Janjua, H, Ma, L.-C, Ho, C.K, Cunningham, K, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-02-16
Release date:2006-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
3VHL
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BU of 3vhl by Molmil
Crystal structure of the DHR-2 domain of DOCK8 in complex with Cdc42 (T17N mutant)
Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 8, PHOSPHATE ION
Authors:Hanawa-Suetsugu, K, Kukimoto-Niino, M, Nishizak, T, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S.
Deposit date:2011-08-26
Release date:2012-06-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:DOCK8 is a Cdc42 activator critical for interstitial dendritic cell migration during immune responses.
Blood, 119, 2012
3D4U
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BU of 3d4u by Molmil
Bovine thrombin-activatable fibrinolysis inhibitor (TAFIa) in complex with tick-derived carboxypeptidase inhibitor.
Descriptor: ACETATE ION, Carboxypeptidase B2, Carboxypeptidase inhibitor, ...
Authors:Sanglas, L, Valnickova, Z, Arolas, J.L, Pallares, I, Guevara, T, Sola, M, Kristensen, T, Enghild, J.J, Aviles, F.X, Gomis-Ruth, F.X.
Deposit date:2008-05-15
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of activated thrombin-activatable fibrinolysis inhibitor, a molecular link between coagulation and fibrinolysis.
Mol.Cell, 31, 2008
2FVV
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BU of 2fvv by Molmil
Human Diphosphoinositol polyphosphate phosphohydrolase 1
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2006-01-31
Release date:2006-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of human diphosphoinositol phosphatase 1
Proteins, 77, 2009

222036

數據於2024-07-03公開中

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