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1CCS
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BU of 1ccs by Molmil
STRUCTURE-ASSISTED REDESIGN OF A PROTEIN-ZINC BINDING SITE WITH FEMTOMOLAR AFFINITY
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Ippolito, J.A, Christianson, D.W.
Deposit date:1994-12-09
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-assisted redesign of a protein-zinc-binding site with femtomolar affinity.
Proc.Natl.Acad.Sci.USA, 92, 1995
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
3IQQ
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BU of 3iqq by Molmil
X-ray structure of bovine TRTK12-Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, TRTK12 peptide, ...
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-08-20
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography
J.Mol.Biol., 396, 2010
5C4B
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BU of 5c4b by Molmil
Crystal structure of GTA + UDP-Glc + DI
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, TRIETHYLENE GLYCOL, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
1JCA
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BU of 1jca by Molmil
Non-standard Design of Unstable Insulin Analogues with Enhanced Activity
Descriptor: ZINC ION, insulin a, insulin b
Authors:Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G.
Deposit date:2001-06-08
Release date:2001-06-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
5C4C
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BU of 5c4c by Molmil
Crystal structure of ABBB + UDP-Glc + DI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
1BXL
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BU of 1bxl by Molmil
STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: BAK PEPTIDE, BCL-XL
Authors:Sattler, M, Liang, H, Nettesheim, D, Meadows, R.P, Harlan, J.E, Eberstadt, M, Yoon, H, Shuker, S.B, Chang, B.S, Minn, A.J, Thompson, C.B, Fesik, S.W.
Deposit date:1996-10-16
Release date:1997-10-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Bcl-xL-Bak peptide complex: recognition between regulators of apoptosis.
Science, 275, 1997
5C8L
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BU of 5c8l by Molmil
Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NudF protein, ...
Authors:Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
Deposit date:2015-06-25
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
1BKH
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BU of 1bkh by Molmil
MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA
Descriptor: MUCONATE LACTONIZING ENZYME
Authors:Hasson, M.S, Schlichting, I, Moulai, J, Taylor, K, Barrett, W, Kenyon, G.L, Babbitt, P.C, Gerlt, J.A, Petsko, G.A, Ringe, D.
Deposit date:1998-07-07
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of an enzyme active site: the structure of a new crystal form of muconate lactonizing enzyme compared with mandelate racemase and enolase.
Proc.Natl.Acad.Sci.USA, 95, 1998
5BWV
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BU of 5bwv by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5C1G
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BU of 5c1g by Molmil
Crystal structure of ABBA + UDP + DI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GALACTOSE-URIDINE-5'-DIPHOSPHATE, Histo-blood group ABO system transferase, ...
Authors:Gagnon, S.
Deposit date:2015-06-13
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C36
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BU of 5c36 by Molmil
Crystal structure of GTA + UDP-C-Gal + DI
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S.N, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
1JQV
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BU of 1jqv by Molmil
The K213E mutant of Lactococcus lactis Dihydroorotate dehydrogenase A
Descriptor: ACETIC ACID, Dihydroorotate dehydrogenase A, FLAVIN MONONUCLEOTIDE, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-09
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
5BWT
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BU of 5bwt by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5C8R
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BU of 5c8r by Molmil
Crystal structure of ABBA + UDP-Glc + DI
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-26
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
1IWX
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BU of 1iwx by Molmil
Crystal Structure Analysis of Human lysozyme at 161K.
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Joti, Y, Nakasako, M, Kidera, A, Go, N.
Deposit date:2002-06-03
Release date:2002-09-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002
1IVH
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BU of 1ivh by Molmil
STRUCTURE OF HUMAN ISOVALERYL-COA DEHYDROGENASE AT 2.6 ANGSTROMS RESOLUTION: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY
Descriptor: COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ISOVALERYL-COA DEHYDROGENASE
Authors:Tiffany, K.A, Roberts, D.L, Wang, M, Paschke, R, Mohsen, A.-W.A, Vockley, J, Kim, J.J.P.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human isovaleryl-CoA dehydrogenase at 2.6 A resolution: structural basis for substrate specificity,.
Biochemistry, 36, 1997
1T93
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BU of 1t93 by Molmil
Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
Descriptor: FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Zhao, B, Sundaramoorthy, M, Waterman, M.R.
Deposit date:2004-05-14
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
5DN5
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BU of 5dn5 by Molmil
Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ
Descriptor: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ...
Authors:Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2015-09-09
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
1INR
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BU of 1inr by Molmil
CYTOKINE SYNTHESIS
Descriptor: INTERLEUKIN-10
Authors:Walter, M.R.
Deposit date:1995-07-31
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of interleukin 10 reveals an interferon gamma-like fold.
Biochemistry, 34, 1995
4BWA
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BU of 4bwa by Molmil
PylRS Y306G, Y384F, I405R mutant in complex with adenylated norbornene
Descriptor: 1,2-ETHANEDIOL, Adenylated Norbornene, DI(HYDROXYETHYL)ETHER, ...
Authors:Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T.
Deposit date:2013-07-01
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins
Chem.Bio.Chem., 14, 2013
1J9R
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BU of 1j9r by Molmil
Crystal structure of nitrite soaked reduced D98N AFNIR
Descriptor: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION
Authors:Boulanger, M.J, Murphy, M.E.
Deposit date:2001-05-28
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
1J9T
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BU of 1j9t by Molmil
Crystal structure of nitrite soaked reduced H255N AFNIR
Descriptor: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION
Authors:Boulanger, M.J, Murphy, M.E.
Deposit date:2001-05-28
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
1Q9D
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BU of 1q9d by Molmil
Fructose-1,6-bisphosphatase Complexed with a New Allosteric Site Inhibitor (I-State)
Descriptor: 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ...
Authors:Honzatko, R.B, Choe, J.Y.
Deposit date:2003-08-25
Release date:2003-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibition of fructose-1,6-bisphosphatase by a new class of allosteric effectors
J.Biol.Chem., 278, 2003

224931

数据于2024-09-11公开中

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