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1MEP
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BU of 1mep by Molmil
Crystal Structure of Streptavidin Double Mutant S45A/D128A with Biotin: Cooperative Hydrogen-Bond Interactions in the Streptavidin-Biotin System.
Descriptor: BIOTIN, Streptavidin
Authors:Hyre, D.E, Le Trong, I, Merritt, E.A, Stenkamp, R.E, Green, N.M, Stayton, P.S.
Deposit date:2002-08-08
Release date:2003-09-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cooperative hydrogen bond interactions in the streptavidin-biotin system
Protein Sci., 15, 2006
1N43
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BU of 1n43 by Molmil
Streptavidin Mutant N23A with biotin at 1.89A
Descriptor: BIOTIN, Streptavidin
Authors:Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E.
Deposit date:2002-10-30
Release date:2003-09-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
Acta Crystallogr.,Sect.D, 59, 2003
4GD9
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BU of 4gd9 by Molmil
Circular Permuted Streptavidin N49/G48
Descriptor: BIOTIN, SULFATE ION, Streptavidin
Authors:Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E.
Deposit date:2012-07-31
Release date:2013-06-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin.
Acta Crystallogr.,Sect.D, 69, 2013
1MZ6
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BU of 1mz6 by Molmil
Trypanosoma rangeli sialidase in complex with the inhibitor DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, sialidase
Authors:Buschiazzo, A, Tavares, G.A, Campetella, O, Spinelli, S, Cremona, M.L, Paris, G, Amaya, M.F, Frasch, A.C.C, Alzari, P.M.
Deposit date:2002-10-05
Release date:2002-10-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of sialyltransferase activity in trypanosomal sialidases
Embo J., 19, 2000
1N41
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BU of 1n41 by Molmil
Crystal Structure of Annexin V K27E Mutant
Descriptor: CALCIUM ION, SULFATE ION, annexin V
Authors:Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A.
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces
J.Biol.Chem., 278, 2003
8E69
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Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorodimethyl oxybenzene inhibitor
Descriptor: (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
1N44
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BU of 1n44 by Molmil
Crystal Structure of Annexin V R23E Mutant
Descriptor: Annexin V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A.
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Interfacial basic cluster in anexin V couples phospholipid binding and trimer formation on membrane surfaces
J.Biol.Chem., 278, 2003
8E5Z
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BU of 8e5z by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfonyl benzene inhibitor
Descriptor: (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8E64
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Crystal structure of SARS-CoV-2 3CL protease in complex with a benzimidazole dimethyl sulfane inhibitor
Descriptor: (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
1NBQ
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BU of 1nbq by Molmil
Crystal Structure of Human Junctional Adhesion Molecule Type 1
Descriptor: Junctional adhesion molecule 1
Authors:Prota, A.E, Campbell, J.A, Schelling, P, Forrest, J.C, Watson, M.J, Peters, T.R, Aurrand-Lions, M, Imhof, B.A, Dermody, T.S, Stehle, T.
Deposit date:2002-12-03
Release date:2003-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human junctional adhesion molecule 1: Implications for reovirus binding
Proc.Natl.Acad.Sci.USA, 100, 2003
8E65
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Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorodimethyl oxybenzene inhibitor
Descriptor: (1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8E63
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BU of 8e63 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl sulfane inhibitor
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8E68
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Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor
Descriptor: (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C.
Deposit date:2022-08-22
Release date:2022-09-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
2QST
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BU of 2qst by Molmil
Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA)
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 5
Authors:Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
Deposit date:2007-07-31
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
1NC9
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BU of 1nc9 by Molmil
STREPTAVIDIN MUTANT Y43A WITH IMINOBIOTIN AT 1.8A RESOLUTION
Descriptor: 2-IMINOBIOTIN, Streptavidin
Authors:Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E.
Deposit date:2002-12-05
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
Acta Crystallogr.,Sect.D, 59, 2003
1NDJ
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BU of 1ndj by Molmil
Streptavidin Mutant Y43F with Biotin at 1.81A Resolution
Descriptor: BIOTIN, Streptavidin
Authors:Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E.
Deposit date:2002-12-09
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
Acta Crystallogr.,Sect.D, 59, 2003
1NBX
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BU of 1nbx by Molmil
Streptavidin Mutant Y43A at 1.70A Resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin
Authors:Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E.
Deposit date:2002-12-04
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
Acta Crystallogr.,Sect.D, 59, 2003
1NLD
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BU of 1nld by Molmil
FAB FRAGMENT OF A NEUTRALIZING ANTIBODY DIRECTED AGAINST AN EPITOPE OF GP41 FROM HIV-1
Descriptor: FAB1583
Authors:Davies, C, Beauchamp, J.C, Emery, D, Rawas, A, Muirhead, H.
Deposit date:1996-07-02
Release date:1996-12-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Fab fragment from a neutralizing monoclonal antibody directed against an epitope of gp41 from HIV-1.
Acta Crystallogr.,Sect.D, 53, 1997
1NP4
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BU of 1np4 by Molmil
CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS
Descriptor: AMMONIA, PROTEIN (NITROPHORIN 4), PROTOPORPHYRIN IX CONTAINING FE
Authors:Andersen, J.F, Weichsel, A, Champagne, D.E, Balfour, C.A, Montfort, W.R.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of nitrophorin 4 at 1.5 A resolution: transport of nitric oxide by a lipocalin-based heme protein.
Structure, 6, 1998
1L1C
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BU of 1l1c by Molmil
Structure of the LicT Bacterial Antiterminator Protein in Complex with its RNA Target
Descriptor: Transcription antiterminator licT, licT mRNA antiterminator hairpin
Authors:Yang, Y, Declerck, N, Manival, X, Aymerich, S, Kochoyan, M.
Deposit date:2002-02-15
Release date:2002-03-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the LicT-RNA antitermination complex: CAT clamping RAT.
EMBO J., 21, 2002
1L5W
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BU of 1l5w by Molmil
Crystal Structure of the Maltodextrin Phosphorylase Complexed with the Products of the Enzymatic Reaction between Glucose-1-phosphate and Maltotetraose
Descriptor: MALTODEXTRIN PHOSPHORYLASE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Geremia, S, Campagnolo, M, Schinzel, R, Johnson, L.N.
Deposit date:2002-03-08
Release date:2002-04-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase
J.Mol.Biol., 322, 2002
3FV7
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BU of 3fv7 by Molmil
OXA-24 beta-lactamase complex with SA4-44 inhibitor
Descriptor: (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24
Authors:Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D.
Deposit date:2009-01-15
Release date:2010-02-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
2TGF
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BU of 2tgf by Molmil
THE SOLUTION STRUCTURE OF HUMAN TRANSFORMING GROWTH FACTOR ALPHA
Descriptor: TRANSFORMING GROWTH FACTOR-ALPHA
Authors:Harvey, T.S, Wilkinson, A.J, Tappin, M.J, Cooke, R.M, Campbell, I.D.
Deposit date:1991-01-23
Release date:1993-04-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:The solution structure of human transforming growth factor alpha.
Eur.J.Biochem., 198, 1991
1L6I
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BU of 1l6i by Molmil
Crystal Structure of the Maltodextrin Phosphorylase complexed with the products of the enzymatic reaction between glucose-1-phosphate and maltopentaose
Descriptor: MALTODEXTRIN PHOSPHORYLASE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Geremia, S, Campagnolo, M, Schinzel, R, Johnson, L.N.
Deposit date:2002-03-11
Release date:2002-04-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase
J.Mol.Biol., 322, 2002
4DB4
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BU of 4db4 by Molmil
Mss116p DEAD-box helicase domain 2 bound to a chimaeric RNA-DNA duplex
Descriptor: 5'-R(*GP*GP*GP*CP*GP*GP*G)-D(P*CP*CP*CP*GP*CP*CP*C)-3', ATP-dependent RNA helicase MSS116, mitochondrial
Authors:Mallam, A.L, Del Campo, M, Gilman, B.D, Sidote, D.J, Lambowitz, A.
Deposit date:2012-01-13
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.599 Å)
Cite:Structural basis for RNA-duplex recognition and unwinding by the DEAD-box helicase Mss116p.
Nature, 490, 2012

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數據於2024-08-28公開中

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