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7BEK
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BU of 7bek by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhou, D, Zhao, Y, Ren, J, Stuart, D.
Deposit date:2020-12-23
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7B12
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BU of 7b12 by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
Descriptor: ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Musil, D, Klein, M, Crosignani, S.
Deposit date:2020-11-23
Release date:2021-12-01
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
1O7Q
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BU of 1o7q by Molmil
Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
Descriptor: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
Deposit date:2002-11-12
Release date:2003-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity.
Biochemistry, 42, 2003
1RND
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BU of 1rnd by Molmil
NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION
Authors:Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A.
Deposit date:1991-10-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
1ODF
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BU of 1odf by Molmil
Structure of YGR205w protein.
Descriptor: GLYCEROL, HYPOTHETICAL 33.3 KDA PROTEIN IN ADE3-SER2 INTERGENIC REGION, SULFATE ION
Authors:Li De La Sierra-Gallay, I, Van Tilbeurgh, H.
Deposit date:2003-02-19
Release date:2003-12-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Ygr205W Protein from Saccharomyces Cerevisiae: Close Structural Resemblance to E.Coli Pantothenate Kinase
Proteins: Struct.,Funct., Genet., 54, 2004
1M3D
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BU of 1m3d by Molmil
Structure of Type IV Collagen NC1 Domains
Descriptor: BROMIDE ION, GLYCEROL, LUTETIUM (III) ION, ...
Authors:Sundaramoorthy, M, Meiyappan, M, Todd, P, Hudson, B.G.
Deposit date:2002-06-27
Release date:2003-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of NC1 Domains. Structural Basis for Type IV Collagen Assembly in Basement Membranes
J.Biol.Chem., 277, 2002
1PT7
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BU of 1pt7 by Molmil
Crystal structure of the apo-form of the yfdW gene product of E. coli
Descriptor: GLYCEROL, Hypothetical protein yfdW, PHOSPHATE ION
Authors:Gruez, A, Roig-Zamboni, V, Valencia, C, Campanacci, V, Cambillau, C.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the Escherichia coli yfdW gene product reveals a New fold of two interlaced rings identifying a wide family of CoA transferases.
J.Biol.Chem., 278, 2003
1PT8
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BU of 1pt8 by Molmil
Crystal structure of the yfdW gene product of E. coli, in complex with oxalate and acetyl-CoA
Descriptor: ACETYL COENZYME *A, GLYCEROL, Hypothetical protein yfdW, ...
Authors:Gruez, A, Roig-Zamboni, V, Valencia, C, Campanacci, V, Cambillau, C.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the Escherichia coli yfdW gene product reveals a new fold of two interlaced rings identifying a wide family of CoA transferases.
J.Biol.Chem., 278, 2003
1QY9
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BU of 1qy9 by Molmil
Crystal structure of E. coli Se-MET protein YDDE
Descriptor: GLYCEROL, HYDROXIDE ION, HYPOTHETICAL PROTEIN yddE
Authors:Grassick, A, Sulzenbacher, G, Roig-Zamboni, V, Campanacci, V, Cambillau, C, Bourne, Y.
Deposit date:2003-09-10
Release date:2004-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of E. coli yddE protein reveals a striking homology with diaminopimelate epimerase
Proteins, 55, 2004
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
1W5U
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BU of 1w5u by Molmil
GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE)
Descriptor: CHLORIDE ION, ETHANOL, GRAMICIDIN D, ...
Authors:Glowka, M.L, Olczak, A, Bojarska, J, Szczesio, M, Duax, W.L, Burkhart, B.M, Pangborn, W.A, Langs, D.A, Wawrzak, Z.
Deposit date:2004-08-10
Release date:2005-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Structure of Gramicidin D-Rbcl Complex at Atomic Resolution from Low-Temperature Synchrotron Data: Interactions of Double-Stranded Gramicidin Channel Contents and Cations with Channel Wall
Acta Crystallogr.,Sect.D, 61, 2005
1VYB
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BU of 1vyb by Molmil
Endonuclease domain of human LINE1 ORF2p
Descriptor: GLYCEROL, ORF2 CONTAINS A REVERSE TRANSCRIPTASE DOMAIN, SULFATE ION, ...
Authors:Weichenrieder, O, Repanas, K, Perrakis, A.
Deposit date:2004-04-25
Release date:2004-06-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the targeting endonuclease of the human LINE-1 retrotransposon.
Structure, 12, 2004
1VLS
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BU of 1vls by Molmil
LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR
Descriptor: ASPARTATE RECEPTOR
Authors:Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E.
Deposit date:1996-09-17
Release date:1997-04-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor.
J.Mol.Biol., 262, 1996
1VLT
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BU of 1vlt by Molmil
LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE
Descriptor: ASPARTATE RECEPTOR, ASPARTIC ACID
Authors:Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E.
Deposit date:1996-09-17
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor.
J.Mol.Biol., 262, 1996
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
Descriptor: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Authors:Longenecker, K.L, Park, C.H, Bigelow, L.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
3HPH
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BU of 3hph by Molmil
Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD
Descriptor: GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ...
Authors:Hare, S, Wang, J, Cherepanov, P.
Deposit date:2009-06-04
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
5W6E
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BU of 5w6e by Molmil
PDE1b complexed with compound 3S
Descriptor: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Vajdos, F.F.
Deposit date:2017-06-16
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
J. Med. Chem., 61, 2018
5I2A
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BU of 5i2a by Molmil
1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diol-dehydratase
Authors:LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N.
Deposit date:2016-02-08
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
5YFC
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BU of 5yfc by Molmil
Crystal structure of a new DPP III family member
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Dipeptidyl peptidase 3, ...
Authors:Xu, T, Liu, J.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme.
Biochem. Biophys. Res. Commun., 494, 2017
5ZFJ
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BU of 5zfj by Molmil
Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-03-06
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
1YS6
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BU of 1ys6 by Molmil
Crystal structure of the response regulatory protein PrrA from Mycobacterium Tuberculosis
Descriptor: CALCIUM ION, GLYCEROL, Transcriptional regulatory protein prrA
Authors:Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2005-02-07
Release date:2006-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the response regulatory protein PrrA from Mycobacterium Tuberculosis
To be published
2A7C
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BU of 2a7c by Molmil
On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength
Descriptor: Elastase 1, GLYCEROL, SULFATE ION, ...
Authors:Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S.
Deposit date:2005-07-05
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
1ZG7
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BU of 1zg7 by Molmil
Crystal Structure of 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B
Descriptor: 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B
Authors:Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M.
Deposit date:2005-04-20
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
3VBZ
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BU of 3vbz by Molmil
Crystal structure of Taipoxin beta subunit isoform 2
Descriptor: Phospholipase A2 homolog, taipoxin beta chain
Authors:Cendron, L, Micetic, I, Polverino, P, Beltramini, M, Paoli, M.
Deposit date:2012-01-03
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural analysis of trimeric phospholipase A(2) neurotoxin from the Australian taipan snake venom.
Febs J., 279, 2012
2G4T
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BU of 2g4t by Molmil
anomalous substructure of porcine pancreatic elastase (Na)
Descriptor: Elastase-1, SODIUM ION, SULFATE ION
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007

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数据于2024-07-17公开中

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