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PDB: 22297 件

6GCR
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BU of 6gcr by Molmil
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1
著者Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
6G9L
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Structure of homomeric mLRRC8A volume-regulated anion channel at 5.01 A resolution
分子名称: Volume-regulated anion channel subunit LRRC8A
著者Sawicka, M, Deneka, D, Lam, A.K.M, Paulino, C, Dutzler, R.
登録日2018-04-11
公開日2018-05-16
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (5.01 Å)
主引用文献Structure of a volume-regulated anion channel of the LRRC8 family.
Nature, 558, 2018
6GAW
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BU of 6gaw by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the complete 55S ribosome.
分子名称: 12S ribosomal RNA, mitochondrial, 16S ribosomal RNA, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-22
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
6TAC
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BU of 6tac by Molmil
Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Houry, D, Raasakka, A, Kursula, P, Ziegler, M.
登録日2019-10-29
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
6T3A
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BU of 6t3a by Molmil
Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX
分子名称: Green fluorescent protein
著者Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2019-10-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
3HV6
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BU of 3hv6 by Molmil
Human p38 MAP Kinase in Complex with RL39
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
3I1U
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BU of 3i1u by Molmil
Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator
分子名称: (2S,3R)-2-benzyl-3-sulfanylbutanoic acid, Carboxypeptidase A1 (Pancreatic), GLYCEROL, ...
著者Fernandez, D.
登録日2009-06-28
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor
Chem.Biol.Drug Des., 75, 2010
3HVZ
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Crystal Structure of the TGS domain of the CLOLEP_03100 protein from Clostridium leptum, Northeast Structural Genomics Consortium Target QlR13A
分子名称: Uncharacterized protein
著者Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-16
公開日2009-06-23
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Northeast Structural Genomics Consortium Target QlR13A
To be Published
3I32
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BU of 3i32 by Molmil
Dimeric structure of a Hera helicase fragment including the C-terminal RecA domain, the dimerization domain, and the RNA binding domain
分子名称: BROMIDE ION, Heat resistant RNA dependent ATPase
著者Rudolph, M.G, Klostermeier, D.
登録日2009-06-30
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Thermus thermophilus DEAD box helicase Hera contains a modified RNA recognition motif domain loosely connected to the helicase core.
Rna, 15, 2009
3HZE
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BU of 3hze by Molmil
Crystal Structure of Ycf54 protein from Thermosynechococcus elongatus, Northeast Structural Genomics Consortium Target TeR59
分子名称: PHOSPHATE ION, Ycf54 protein
著者Kuzin, A, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-23
公開日2009-07-07
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Northeast Structural Genomics Consortium Target TeR59
To be Published
6TFD
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BU of 6tfd by Molmil
Crystal structure of nitrite and NO bound three-domain copper-containing nitrite reductase from Hyphomicrobium denitrificans strain 1NES1
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
著者Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S.
登録日2019-11-13
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structures of substrate- and product-bound forms of a multi-domain copper nitrite reductase shed light on the role of domain tethering in protein complexes.
Iucrj, 7, 2020
6FWF
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BU of 6fwf by Molmil
Low resolution structure of Neisseria meningitidis qNOR
分子名称: CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ...
著者Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y.
登録日2018-03-06
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme.
Sci Rep, 8, 2018
6GCG
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BU of 6gcg by Molmil
Copper nitrite reductase from Achromobacter cycloclastes: large polymorph dataset 15
分子名称: COPPER (II) ION, Copper-containing nitrite reductase
著者Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2018-04-17
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.80015242 Å)
主引用文献Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 75, 2019
3KV8
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BU of 3kv8 by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - Wild type FlK in complex with fluoro-acetate
分子名称: Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-29
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
6TL9
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BU of 6tl9 by Molmil
CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 IN COMPLEX WITH BI-0115
分子名称: 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one, GLYCEROL, Oxidized low-density lipoprotein receptor 1
著者Nar, H, Fiegen, D, Schnapp, G.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Commun Chem, 2020
3KSD
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BU of 3ksd by Molmil
Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) from Staphylococcus aureus MRSA252 complexed with NAD at 2.2 angstrom resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
登録日2009-11-22
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
3KX9
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BU of 3kx9 by Molmil
Engineering a closed form of the Archaeoglobus fulgidus ferritin by site directed mutagenesis
分子名称: Ferritin, GLYCEROL
著者Johnson, E, Cascio, D, Sawaya, M.R.
登録日2009-12-02
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The role of nonconserved residues of Archaeoglobus fulgidus ferritin on its unique structure and biophysical properties.
J.Biol.Chem., 288, 2013
3KV3
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BU of 3kv3 by Molmil
Crystal structure of C151S mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH 1)from methicillin resistant Staphylococcus aureus MRSA252 complexed with NAD and G3P
分子名称: 3-PHOSPHOGLYCERIC ACID, GAPDH, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
登録日2009-11-29
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
3KVV
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Trapping of an oxocarbenium ion intermediate in UP crystals
分子名称: 1,4-anhydro-D-erythro-pent-1-enitol, 5-FLUOROURACIL, SULFATE ION, ...
著者Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E.
登録日2009-11-30
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KX7
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BU of 3kx7 by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK
分子名称: Fluoroacetyl-CoA thioesterase FlK
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-12-02
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
6FXU
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BU of 6fxu by Molmil
Crystal structure of human transthyretin mutant T119M at pH 5.5
分子名称: Transthyretin
著者Varejao, N, Esperante, S, Ventura, S, Reverter, D.
登録日2018-03-09
公開日2019-03-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.359 Å)
主引用文献Disease-associated mutations impacting BC-loop flexibility trigger long-range transthyretin tetramer destabilization and aggregation.
J.Biol.Chem., 297, 2021
6GAA
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BU of 6gaa by Molmil
BACTERIORHODOPSIN, 430 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
3KZN
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Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with N-acetyl-L-ornirthine
分子名称: GLYCEROL, N-acetylornithine carbamoyltransferase, N~2~-ACETYL-L-ORNITHINE, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-08
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of N-acetylornithine transcarbamoylase from Xanthomonas campestris complexed with substrates and substrate analogs imply mechanisms for substrate binding and catalysis.
Proteins, 64, 2006
6GB8
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Copper nitrite reductase from Achromobacter cycloclastes: small cell polymorph dataset 1
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2018-04-13
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 75, 2019
3L05
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BU of 3l05 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92S mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
分子名称: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-09
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007

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