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3RYY
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BU of 3ryy by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, N-propyl-4-sulfamoylbenzamide, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ8
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BU of 3rz8 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-hexyl-4-sulfamoylbenzamide, ...
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYX
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BU of 3ryx by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3S72
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BU of 3s72 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1H-benzimidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S78
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BU of 3s78 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: Carbonic anhydrase 2, ZINC ION, thiophene-2-sulfonamide
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
4RF3
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BU of 4rf3 by Molmil
Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F
Descriptor: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RF5
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BU of 4rf5 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant
Descriptor: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
7YTU
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BU of 7ytu by Molmil
Crystal structure of vaccinia virus G3/L5 sub-complex (SeMet-labeled, P31 space group)
Descriptor: Protein G3, Protein L5
Authors:Lin, S, Yue, D, Lu, G.W.
Deposit date:2022-08-16
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Crystal structure of vaccinia virus G3/L5 sub-complex reveals a novel fold with extended inter-molecule interactions conserved among orthopoxviruses.
Emerg Microbes Infect, 12, 2023
7YTT
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BU of 7ytt by Molmil
Crystal structure of vaccinia virus G3/L5 sub-complex (SeMet-labeled, P21 space group)
Descriptor: Protein G3, Protein L5
Authors:Lin, S, Yue, D, Lu, G.W.
Deposit date:2022-08-16
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of vaccinia virus G3/L5 sub-complex reveals a novel fold with extended inter-molecule interactions conserved among orthopoxviruses.
Emerg Microbes Infect, 12, 2023
6VUA
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BU of 6vua by Molmil
X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Dai, Z, Zhang, X.N, Nasertorabi, F, Han, G.W, Stevens, R.C, Zhang, Y.
Deposit date:2020-02-14
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis of site-specific antibody-drug conjugates by ADP-ribosyl cyclases.
Sci Adv, 6, 2020
1D41
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BU of 1d41 by Molmil
STABILIZATION OF Z-DNA BY DEMETHYLATION OF THYMINE BASES: 1.3 ANGSTROMS SINGLE-CRYSTAL STRUCTURE OF D(M5CGUAM5CG)
Descriptor: DNA (5'-D(*(5CM)P*GP*UP*AP*(5CM)P*G)-3'), MAGNESIUM ION
Authors:Zhou, G, Ho, P.S.
Deposit date:1991-05-07
Release date:1992-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Stabilization of Z-DNA by demethylation of thymine bases: 1.3-A single-crystal structure of d(m5CGUAm5CG).
Biochemistry, 29, 1990
4MRB
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BU of 4mrb by Molmil
Wild Type Human Transthyretin pH 7.5
Descriptor: CALCIUM ION, Transthyretin
Authors:Chen, W.J, Wood, S.P.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MRC
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BU of 4mrc by Molmil
Human Transthyretin Ser52Pro Mutant
Descriptor: CALCIUM ION, Transthyretin
Authors:Chen, W.J, Wood, S.P.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NJ3
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BU of 4nj3 by Molmil
Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
Descriptor: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
Authors:Fischmann, T.O, Hruza, A.W.
Deposit date:2013-11-08
Release date:2013-11-27
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014
4O2D
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BU of 4o2d by Molmil
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-17
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1ECP
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BU of 1ecp by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE
Descriptor: PURINE NUCLEOSIDE PHOSPHORYLASE
Authors:Mao, C, Ealick, S.E.
Deposit date:1995-07-13
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of Escherichia coli purine nucleoside phosphorylase: a comparison with the human enzyme reveals a conserved topology.
Structure, 5, 1997
8XFB
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BU of 8xfb by Molmil
Cryo-EM structure of partial dimeric WDR11-FAM91A1 complex
Descriptor: Protein FAM91A1, WD repeat-containing protein 11
Authors:Jia, G.W, Deng, Q.H, Su, Z.M, Jia, D.
Deposit date:2023-12-13
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The WDR11 complex is a receptor for acidic-cluster-containing cargo proteins.
Cell, 187, 2024
6XF7
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BU of 6xf7 by Molmil
SLP
Descriptor: Lambda 1 protein
Authors:Sutton, G, Sun, D.P, Fu, X.F, Kotecha, A, Hecksel, G.W, Clare, D.K, Zhang, P, Stuart, D, Boyce, M.
Deposit date:2020-06-15
Release date:2020-09-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
8Y0Y
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BU of 8y0y by Molmil
Cryo-EM structure of the 123-316 scDb/PT-RBD complex
Descriptor: 123-316 scDb, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Jia, G.W, Tong, Z, Tong, J.Y, Su, Z.M.
Deposit date:2024-01-23
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
8Z9M
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BU of 8z9m by Molmil
Cryo-EM structure of dimeric WDR11-FAM91A1 complex
Descriptor: Protein FAM91A1, WD repeat-containing protein 11
Authors:Jia, G.W, Deng, Q.H, Su, Z.M, Jia, D.
Deposit date:2024-04-23
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The WDR11 complex is a receptor for acidic-cluster-containing cargo proteins.
Cell, 187, 2024
1GMM
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BU of 1gmm by Molmil
Carbohydrate binding module CBM6 from xylanase U Clostridium thermocellum
Descriptor: CALCIUM ION, CBM6, SODIUM ION, ...
Authors:Czjzek, M, Mosbah, A, Bolam, D, Allouch, J, Zamboni, V, Henrissat, B, Gilbert, H.J.
Deposit date:2001-09-19
Release date:2001-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Location of the Ligand-Binding Site of Carbohydrate-Binding Modules that Have Evolved from a Common Sequence is not Conserved.
J.Biol.Chem., 276, 2001
1GPF
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BU of 1gpf by Molmil
CHITINASE B FROM SERRATIA MARCESCENS IN COMPLEX WITH INHIBITOR PSAMMAPLIN
Descriptor: CHITINASE B, SULFATE ION
Authors:Komander, D, Van Aalten, D.M.
Deposit date:2001-11-03
Release date:2002-10-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Psammaplin A, a Chitinase Inhibitor Isolated from the Fijian Marine Sponge Aplysinella Rhax
Bioorg.Med.Chem., 10, 2002
3KK7
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BU of 3kk7 by Molmil
Crystal structure of Putative cell invasion protein with MAC/Perforin domain (NP_812351.1) from BACTERIODES THETAIOTAOMICRON VPI-5482 at 2.46 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-04
Release date:2009-11-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure of a membrane-attack complex/perforin (MACPF) family protein from the human gut symbiont Bacteroides thetaiotaomicron.
Acta Crystallogr.,Sect.F, 66, 2010

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