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1Q2P
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SHV-1 class A beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1Q48
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Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints.
分子名称: NifU-like protein
著者Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2003-08-01
公開日2003-11-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
1S3W
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BU of 1s3w by Molmil
Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1S98
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E.coli IscA crystal structure to 2.3 A
分子名称: Protein yfhF
著者Cupp-Vickery, J.R, Silberg, J.J, Ta, D.T, Vickery, L.E.
登録日2004-02-03
公開日2004-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of IscA, an iron-sulfur cluster assembly protein from Escherichia coli.
J.Mol.Biol., 338, 2004
1S3Y
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Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1SOU
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BU of 1sou by Molmil
NMR structure of Aquifex aeolicus 5,10-methenyltetrahydrofolate synthetase: Northeast Structural Genomics Consortium Target QR46
分子名称: 5,10-methenyltetrahydrofolate synthetase
著者Cort, J.R, Chiang, Y, Acton, T, Wu, M, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2004-03-15
公開日2004-06-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of Aquifex aeolicus 5,10-methenyltetrahydrofolate synthetase: Northeast Structural Genomics Consortium Target QR46
To be Published
1SQW
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BU of 1sqw by Molmil
Crystal structure of KD93, a novel protein expressed in the human pro
分子名称: Saccharomyces cerevisiae Nip7p homolog
著者Liu, J.F, Wang, X.Q, Wang, Z.X, Chen, J.R, Jiang, T, An, X.M, Chan, W.R, Liang, D.C.
登録日2004-03-19
公開日2005-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of KD93, a novel protein expressed in human hematopoietic stem/progenitor cells.
J.Struct.Biol., 148, 2004
1PQS
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BU of 1pqs by Molmil
Solution structure of the C-terminal OPCA domain of yCdc24p
分子名称: Cell division control protein 24
著者Leitner, D, Wahl, M, Labudde, D, Diehl, A, Schmieder, P, Pires, J.R, Fossi, M, Leidert, M, Krause, G, Oschkinat, H.
登録日2003-06-19
公開日2003-07-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of an N-terminally truncated version of the yeast CDC24p PB1 domain shows a different beta-sheet topology.
Febs Lett., 579, 2005
1PZO
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BU of 1pzo by Molmil
TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: Beta-lactamase TEM, N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1PZP
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TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE, Beta-lactamase TEM
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1Q02
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BU of 1q02 by Molmil
NMR structure of the UBA domain of p62 (SQSTM1)
分子名称: sequestosome 1
著者Ciani, B, Layfield, R, Cavey, J.R, Sheppard, P.W, Searle, M.S.
登録日2003-07-15
公開日2003-09-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Ubiquitin-associated Domain of p62 (SQSTM1) and Implications for Mutations That Cause Paget's Disease of Bone
J.Biol.Chem., 278, 2003
1Q2Q
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BU of 1q2q by Molmil
Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1Q0S
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BU of 1q0s by Molmil
Binary Structure of T4DAM with AdoHcy
分子名称: DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X.
登録日2003-07-17
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
1SKM
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BU of 1skm by Molmil
HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site
分子名称: 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ...
著者Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X.
登録日2004-03-05
公開日2004-08-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase
Nucleic Acids Res., 32, 2004
1S05
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BU of 1s05 by Molmil
NMR-validated structural model for oxidized R.palustris cytochrome c556
分子名称: Cytochrome c-556, HEME C
著者Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R.
登録日2003-12-30
公開日2004-01-20
最終更新日2021-03-03
実験手法SOLUTION NMR
主引用文献NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
1SGO
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BU of 1sgo by Molmil
NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969.
分子名称: Protein C14orf129
著者Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.-Y, Ma, L.-C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2004-02-24
公開日2004-05-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969.
To be Published
1SNQ
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BU of 1snq by Molmil
PROTEIN STABILITY IN STAPHYLOCOCCAL NUCLEASE
分子名称: STAPHYLOCOCCAL NUCLEASE
著者Truckses, D.M, Somoza, J.R, Markley, J.L.
登録日1996-07-06
公開日1997-02-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Coupling between trans/cis proline isomerization and protein stability in staphylococcal nuclease.
Protein Sci., 5, 1996
1SNP
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PROTEIN STABILITY IN STAPHYLOCOCCAL NUCLEASE
分子名称: STAPHYLOCOCCAL NUCLEASE
著者Truckses, D.M, Somoza, J.R, Markley, J.L.
登録日1996-07-06
公開日1997-02-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Coupling between trans/cis proline isomerization and protein stability in staphylococcal nuclease.
Protein Sci., 5, 1996
1SNO
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PROTEIN STABILITY IN STAPHYLOCOCCAL NUCLEASE
分子名称: STAPHYLOCOCCAL NUCLEASE
著者Truckses, D.M, Somoza, J.R, Markley, J.L.
登録日1996-07-06
公開日1997-02-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Coupling between trans/cis proline isomerization and protein stability in staphylococcal nuclease.
Protein Sci., 5, 1996
1T24
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Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
分子名称: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1PD8
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Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
登録日2003-05-19
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PDB
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Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
分子名称: Dihydrofolate reductase
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
登録日2003-05-19
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PD9
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Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
登録日2003-05-19
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PEG
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Structural basis for the product specificity of histone lysine methyltransferases
分子名称: Histone H3, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
著者Zhang, X, Yang, Z, Khan, S.I, Horton, J.R, Tamaru, H, Selker, E.U, Cheng, X.
登録日2003-05-21
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis for the product specificity of histone lysine methyltransferases
Mol.Cell, 12, 2003
1P9S
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Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
分子名称: 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab
著者Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
登録日2003-05-12
公開日2003-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003

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