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6CN8
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High-resolution structure of ClpC1-NTD binding to Rufomycin-I
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ...
著者Abad-Zapatero, C, Wolf, N.W.
登録日2018-03-07
公開日2019-06-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads.
Acs Infect Dis., 5, 2019
6AYU
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BU of 6ayu by Molmil
Crystal structure of fructose-1,6-bisphosphatase T84S from Mycobacterium tuberculosis
分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase class 2, GLYCEROL, ...
著者Abad-Zapatero, C, Wolf, N, Gutka, H.J, Movahedzadeh, F.
登録日2017-09-08
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition.
Acta Crystallogr D Struct Biol, 74, 2018
4FE2
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BU of 4fe2 by Molmil
X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with AIR, ADP, Asp and Mg2+
分子名称: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wolf, N, Abad-Zapatero, C, Johnson, M.E, Fung, L.M.-W.
登録日2012-05-29
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg(2+), AIR and Asp.
Acta Crystallogr.,Sect.D, 70, 2014
4NYE
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BU of 4nye by Molmil
Structures of SAICAR Synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg2+, AIR and L-Asp
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Fung, L.W.-M, Johnson, M.E, Abad-Zapatero, C, Wolf, N.M.
登録日2013-12-10
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg(2+), AIR and Asp.
Acta Crystallogr.,Sect.D, 70, 2014
1AJD
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BU of 1ajd by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
分子名称: ALKALINE PHOSPHATASE INTERMEDIATE II OF HOLO ENZYME, MAGNESIUM ION, ZINC ION
著者Dealwis, C.G, Chen, L, Abad-Zapatero, C.
登録日1995-08-18
公開日1995-11-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJC
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THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
分子名称: ALKALINE PHOSPHATASE, MAGNESIUM ION, ZINC ION
著者Dealwis, C.G, Chen, L, Abad-Zapatero, C.
登録日1995-07-18
公開日1995-11-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJB
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BU of 1ajb by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
分子名称: ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ...
著者Dealwis, C.G, Chen, L, Abad-Zapatero, C.
登録日1995-08-19
公開日1995-11-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3-D structure of the D153G mutant of Escherichia coli alkaline phosphatase: an enzyme with weaker magnesium binding and increased catalytic activity.
Protein Eng., 8, 1995
1AJA
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BU of 1aja by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
分子名称: ALKALINE PHOSPHATASE
著者Dealwis, C.G, Chen, L, Abad-Zapatero, C.
登録日1995-08-19
公開日1995-11-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
4B4K
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BU of 4b4k by Molmil
Crystal structure of Bacillus anthracis PurE
分子名称: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
著者Oliete, R, Pous, J, Rodriguez-Puente, S, Abad-Zapatero, C, Guasch, A.
登録日2012-07-31
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Elastic and Inelastic Diffraction Changes Upon Variation of the Relative Humidity Environment of Pure Crystals
Acta Crystallogr.,Sect.D, 69, 2013
1Q1M
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A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
分子名称: 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R.
登録日2003-07-22
公開日2003-09-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
1XBO
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PTP1B complexed with Isoxazole Carboxylic Acid
分子名称: 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Zhao, H, Liu, G, Xin, Z, Serby, M, Pei, Z, Szczepankiewicz, B.G, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Lubben, T.H, Ballaron, S.J, Hassach, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R.
登録日2004-08-31
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
4AY4
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BU of 4ay4 by Molmil
crystal structure of Bacillus anthracis PurE
分子名称: ACETATE ION, N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
著者Oliete, R, Pous, J, Rodriguez-Puente, S, Abad-Zapatero, C, Guasch, A.
登録日2012-06-18
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Elastic and Inelastic Diffraction Changes Upon Variation of the Relative Humidity Environment of Pure Crystals
Acta Crystallogr.,Sect.D, 69, 2013
4AY3
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BU of 4ay3 by Molmil
Crystal structure of Bacillus anthracis PurE
分子名称: ACETATE ION, N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
著者Oliete, R, Pous, J, Rodriguez-Puente, S, Abad-Zapatero, C, Guasch, A.
登録日2012-06-18
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Elastic and Inelastic Diffraction Changes Upon Variation of the Relative Humidity Environment of Pure Crystals
Acta Crystallogr.,Sect.D, 69, 2013
1PYN
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BU of 1pyn by Molmil
DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE
分子名称: 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Zhonghua, P, Lubben, T, Trevillyan, J.M, Stashko, M, Ballaron, S.J, Liang, H.
登録日2003-07-09
公開日2003-09-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003
2ERC
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BU of 2erc by Molmil
CRYSTAL STRUCTURE OF ERMC' A RRNA-METHYL TRANSFERASE
分子名称: RRNA METHYL TRANSFERASE
著者Bussiere, D.E, Muchmore, S.W, Dealwis, C.G, Schluckebier, G, Abad-Zapatero, C.
登録日1998-03-13
公開日1999-03-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Crystal structure of ErmC', an rRNA methyltransferase which mediates antibiotic resistance in bacteria.
Biochemistry, 37, 1998
1ONY
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Oxalyl-Aryl-Amino Benzoic Acid inhibitors of PTP1B, compound 17
分子名称: 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R.
登録日2003-03-02
公開日2003-05-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1PSA
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STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR
分子名称: N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide, PEPSIN A
著者Chen, L, Abad-Zapatero, C.
登録日1991-10-22
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor.
Acta Crystallogr.,Sect.B, 48, 1992
1ONZ
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Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b
分子名称: 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R.
登録日2003-03-02
公開日2003-05-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1QAN
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THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM
分子名称: ACETATE ION, ERMC' METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
著者Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C.
登録日1999-03-26
公開日2000-03-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
1QAO
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THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM
分子名称: ERMC' METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
著者Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C.
登録日1999-03-26
公開日2000-03-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
1QAM
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THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM
分子名称: ACETATE ION, ERMC' METHYLTRANSFERASE
著者Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C.
登録日1999-03-25
公開日2000-03-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
1QAQ
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THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM
分子名称: ERMC' RRNA METHYLTRANSFERASE, SINEFUNGIN
著者Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C.
登録日1999-03-28
公開日2000-03-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
1BIJ
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BU of 1bij by Molmil
CROSSLINKED, DEOXY HUMAN HEMOGLOBIN A
分子名称: BUT-2-ENEDIAL, HEMOGLOBIN A, PROTOPORPHYRIN IX CONTAINING FE
著者Fernandez, E.J, Abad-Zapatero, C, Olsen, K.W.
登録日1998-06-18
公開日1999-03-30
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Lysbeta(1)82-Lysbeta(2)82 crosslinked hemoglobin: a possible allosteric intermediate
J.Mol.Biol., 296, 2000
1NZ7
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POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19.
分子名称: 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Xin, Z, Oost, T.K, Abad-Zapatero, C, Hajduk, P.J, Pei, Z, Szczepankiewicz, B.G, Hutchins, C.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Trevillyan, J.M, Jirousek, M.R, Liu, G.
登録日2003-02-16
公開日2003-05-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1PH0
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Non-carboxylic Acid-Containing Inhibitor of PTP1B Targeting the Second Phosphotyrosine Site
分子名称: 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ OIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1
著者Liu, G, Xin, Z, Liang, H, Abad-Zapatero, C, Hajduk, P, Janowick, D, Szczepankiewicz, B, Pei, Z, Hutchins, C.W, Ballaron, S.J.
登録日2003-05-29
公開日2003-07-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.
J.Med.Chem., 46, 2003

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