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7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
Descriptor: Xylanase
Authors:Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
Deposit date:2021-01-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
2W72
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BU of 2w72 by Molmil
DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE
Descriptor: HUMAN HEMOGLOBIN A, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C.
Deposit date:2008-12-19
Release date:2009-04-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Pattern of Cavities in Globins: The Case of Human Hemoglobin.
Biopolymers, 91, 2009
2VWT
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BU of 2vwt by Molmil
Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I.
Deposit date:2008-06-26
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
7F61
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BU of 7f61 by Molmil
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
Descriptor: CHOLESTEROL, Histamine H3 receptor, N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide, ...
Authors:Peng, X, Zhang, H.
Deposit date:2021-06-23
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for recognition of antihistamine drug by human histamine receptor.
Nat Commun, 13, 2022
7EST
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BU of 7est by Molmil
Interaction of the peptide CF3-LEU-ALA-NH-C6H4-CF3(TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 Angstroms
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, ELASTASE, ...
Authors:Li De Lasierra, I, Prange, T.
Deposit date:1990-06-15
Release date:1991-10-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.
J.Mol.Recog., 3, 1990
7FVS
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BU of 7fvs by Molmil
Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one
Descriptor: 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ...
Authors:Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G.
Deposit date:2023-04-18
Release date:2023-06-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
7FVT
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BU of 7fvt by Molmil
Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
Descriptor: 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G.
Deposit date:2023-04-18
Release date:2023-06-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
5DN6
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BU of 5dn6 by Molmil
ATP synthase from Paracoccus denitrificans
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F0 subcomplex C subunit, ...
Authors:Morales-Rios, E, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2015-09-09
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Structure of ATP synthase from Paracoccus denitrificans determined by X-ray crystallography at 4.0 angstrom resolution.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DL2
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BU of 5dl2 by Molmil
Crystal Structure of RopB
Descriptor: Regulator of protease B (RopB)
Authors:Kumaraswami, M.
Deposit date:2015-09-04
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural and functional analysis of RopB: a major virulence regulator in Streptococcus pyogenes.
Mol.Microbiol., 99, 2016
7JPP
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BU of 7jpp by Molmil
ORC-O2WH: Human Origin Recognition Complex (ORC) with dynamic/unresolved ORC1 AAA+ domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
Authors:Jaremko, M.J, Joshua-Tor, L.
Deposit date:2020-08-09
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The dynamic nature of the human Origin Recognition Complex revealed through five cryoEM structures.
Elife, 9, 2020
7JOQ
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BU of 7joq by Molmil
Structure of NV1 small terminase
Descriptor: Small Terminase subunit
Authors:Cingolani, G, Lokareddy, R.
Deposit date:2020-08-07
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Biophysical analysis of Pseudomonas-phage PaP3 small terminase suggests a mechanism for sequence-specific DNA-binding by lateral interdigitation.
Nucleic Acids Res., 48, 2020
7JOA
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BU of 7joa by Molmil
2:1 cGAS-nucleosome complex
Descriptor: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ...
Authors:Boyer, J.A, Spangler, C.J, Strauss, J.D, Cesmat, A.P, Liu, P, McGinty, R.K, Zhang, Q.
Deposit date:2020-08-06
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of nucleosome-dependent cGAS inhibition.
Science, 370, 2020
7JYT
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BU of 7jyt by Molmil
hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine
Descriptor: 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL
Authors:McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
Deposit date:2020-08-31
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
7JZ2
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BU of 7jz2 by Molmil
Succinate: quinone oxidoreductase SQR from E.coli K12
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W.
Deposit date:2020-09-01
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
2XSQ
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BU of 2xsq by Molmil
Crystal structure of human Nudix motif 16 (NUDT16) in complex with IMP and magnesium
Descriptor: CHLORIDE ION, INOSINIC ACID, MAGNESIUM ION, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van den Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-29
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for the Specificity of Human Nudt16 and its Regulation by Inosine Monophosphate.
Plos One, 10, 2015
7K4Y
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BU of 7k4y by Molmil
Crystal structure of Kemp Eliminase HG3.17 at 343 K
Descriptor: Endo-1,4-beta-xylanase
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
2XJM
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BU of 2xjm by Molmil
Crystal structure of Streptococcus suis Dpr with cobalt
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C.
Deposit date:2010-07-06
Release date:2010-11-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
2XJN
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BU of 2xjn by Molmil
Crystal structure of Streptococcus suis Dpr with copper
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C.
Deposit date:2010-07-06
Release date:2010-11-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
2XJO
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BU of 2xjo by Molmil
Crystal structure of Streptococcus suis Dpr with nickel
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C.
Deposit date:2010-07-06
Release date:2010-11-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
2OQR
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BU of 2oqr by Molmil
The structure of the response regulator RegX3 from Mycobacterium tuberculosis
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, LANTHANUM (III) ION, ...
Authors:King-Scott, J.
Deposit date:2007-02-01
Release date:2007-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Structure of a Full-length Response Regulator from Mycobacterium tuberculosis in a Stabilized Three-dimensional Domain-swapped, Activated State.
J.Biol.Chem., 282, 2007
3CK4
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BU of 3ck4 by Molmil
A heterospecific leucine zipper tetramer
Descriptor: GCN4 leucine zipper, MAGNESIUM ION
Authors:Liu, J.
Deposit date:2008-03-14
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
6LVD
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BU of 6lvd by Molmil
Structure of Dimethylformamidase, tetramer, Y440A mutant
Descriptor: N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit
Authors:Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R.
Deposit date:2020-02-02
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XTV
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BU of 6xtv by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM WITH BOUND EFFECTOR ARG
Descriptor: ARGININE, Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
5I6N
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BU of 5i6n by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 11.73 MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
6A6V
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BU of 6a6v by Molmil
Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with 7 additional mutations, in complex with FSA
Descriptor: 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase
Authors:Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K.
Deposit date:2018-06-29
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019

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数据于2024-07-17公开中

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