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1E9N
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A second divalent metal ion in the active site of a new crystal form of human apurinic/apyrimidinic endonuclease, Ape1, and its implications for the catalytic mechanism
分子名称: DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION
著者Beernink, P.T, Segelke, B.W, Rupp, B.
登録日2000-10-24
公開日2001-02-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism
J.Mol.Biol., 307, 2001
1EV1
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ECHOVIRUS 1
分子名称: ECHOVIRUS 1, MYRISTIC ACID, PALMITIC ACID
著者Wien, M.W, Filman, D.J, Hogle, J.M.
登録日1997-12-02
公開日1999-01-27
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structure determination of echovirus 1.
Acta Crystallogr.,Sect.D, 54, 1998
1DYH
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ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
分子名称: 5-DEAZAFOLIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Reyes, V.M, Kraut, J.
登録日1994-10-26
公開日1995-06-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
1DYI
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ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Reyes, V.M, Kraut, J.
登録日1994-10-26
公開日1995-06-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
4LZ2
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Crystal structure of the bromodomain of human BAZ2A
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION
著者Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Bradley, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-07-31
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
7EPT
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Structural basis for the tethered peptide activation of adhesion GPCRs
分子名称: Adhesion G-protein coupled receptor D1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Ping, Y.-Q, Xiao, P, Yang, F, Zhao, R.-J, Guo, S.-C, Yan, X, Wu, X, Liebscher, I, Xu, H.E, Sun, J.-P.
登録日2021-04-27
公開日2022-05-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the tethered peptide activation of adhesion GPCRs.
Nature, 604, 2022
7F92
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Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in LMNG/CHS detergents at pH ~8.0
分子名称: Gap junction alpha-1 protein, TETRADECANE
著者Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S.
登録日2021-07-03
公開日2022-07-06
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
3SZ2
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Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dG as templating nucleobase
分子名称: (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), DNA polymerase I, ...
著者Betz, K, Marx, A, Diederichs, K.
登録日2011-07-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
1CSX
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REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-10-04
公開日1995-01-26
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c.
Protein Sci., 4, 1995
1CSV
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REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-10-04
公開日1995-01-26
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c.
Protein Sci., 4, 1995
1CSW
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BU of 1csw by Molmil
REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-10-04
公開日1995-01-26
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c.
Protein Sci., 4, 1995
1CSU
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BU of 1csu by Molmil
REPLACEMENTS IN A CONSERVED LEUCINE CLUSTER IN THE HYDROPHOBIC HEME POCKET OF CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-10-04
公開日1995-01-26
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Replacements in a conserved leucine cluster in the hydrophobic heme pocket of cytochrome c.
Protein Sci., 4, 1995
1CLH
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THREE-DIMENSIONAL SOLUTION STRUCTURE OF ESCHERICHIA COLI PERIPLASMIC CYCLOPHILIN
分子名称: CYCLOPHILIN
著者Clubb, R.T, Wagner, G.
登録日1993-12-20
公開日1994-05-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of Escherichia coli periplasmic cyclophilin
Biochemistry, 33, 1994
3SV3
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Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dNaM-d5SICSTP
分子名称: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione, ...
著者Betz, K, Diederichs, K, Marx, A.
登録日2011-07-12
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
1G7F
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HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177496
分子名称: 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者Bleasdale, J.E, Ogg, D, Larsen, S.D.
登録日2000-11-10
公開日2001-06-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action.
Biochemistry, 40, 2001
3SV4
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Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dT as templating nucleobase
分子名称: (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
著者Betz, K, Diederichs, K, Marx, A.
登録日2011-07-12
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
4KTL
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Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-((4-hydroxyphenyl)amino)-1H-pyrazole-4,5-diyl)diphenol
分子名称: 4,4'-{3-[(4-hydroxyphenyl)amino]-1H-pyrazole-4,5-diyl}diphenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hudson, S.A.
登録日2013-05-20
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
4KTJ
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Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-1H-pyrazol-4-yl)phenol
分子名称: 4-(3-amino-1H-pyrazol-4-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hudson, S.A.
登録日2013-05-20
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
3SYZ
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BU of 3syz by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dNaM as templating nucleobase
分子名称: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
著者Betz, K, Diederichs, K, Marx, A.
登録日2011-07-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
4N7E
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Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469
分子名称: 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-10-15
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
4KTK
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Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl)benzene-1,3-diol
分子名称: 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hudson, S.A.
登録日2013-05-20
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
1D7O
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CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
分子名称: ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W.
登録日1999-10-19
公開日1999-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
1GGN
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Structures of glycogen phosphorylase-inhibitor complexes and the implications for structure-based drug design
分子名称: BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE
著者Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N.
登録日2000-08-29
公開日2000-09-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Kinetic and crystallographic studies of glucopyranosylidene spirothiohydantoin binding to glycogen phosphorylase B.
Bioorg.Med.Chem., 10, 2002
1CPI
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REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES. DESIGN OF HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE
分子名称: CYCLIC PEPTIDE INHIBITOR, HIV-1 PROTEASE, SULFATE ION
著者Martin, J.L.
登録日1995-10-16
公開日1996-03-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES - DESIGN OF HYDROLYTICALLY-STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE.
J.Am.Chem.Soc., 117, 1995
1DAN
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Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
分子名称: BLOOD COAGULATION FACTOR VIIA heavy chain, BLOOD COAGULATION FACTOR VIIA light chain, CACODYLATE ION, ...
著者Banner, D.W.
登録日1997-03-05
公開日1997-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor.
Nature, 380, 1996

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