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2PDH
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BU of 2pdh by Molmil
Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDU
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BU of 2pdu by Molmil
Human aldose reductase mutant C303D complexed with IDD393.
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDN
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BU of 2pdn by Molmil
Human aldose reductase mutant S302R complexed with uracil-type inhibitor.
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
4ZSL
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BU of 4zsl by Molmil
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
分子名称: 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7
著者Ogg, D.J, Tucker, J.
登録日2015-05-13
公開日2016-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
2PD9
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BU of 2pd9 by Molmil
Human aldose reductase mutant V47I complexed with fidarestat.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDI
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BU of 2pdi by Molmil
Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDY
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BU of 2pdy by Molmil
Human aldose reductase double mutant S302R-C303D complexed with fidarestat.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-04-01
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDF
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BU of 2pdf by Molmil
Human aldose reductase mutant L300P complexed with zopolrestat.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
1PH8
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BU of 1ph8 by Molmil
CRYSTAL STRUCTURE OF THE OXYTRICHA NOVA TELOMERE END-BINDING PROTEIN COMPLEXED WITH NONCOGNATE SSDNA GGGGTTTTGCGG
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*CP*GP*G)-3', 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3', CHLORIDE ION, ...
著者Theobald, D.L, Schultz, S.C.
登録日2003-05-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Nucleotide Shuffling and Ssdna Recognition in Oxytricha Nova Telomere End-Binding Protein Complexes
Embo J., 22, 2003
1PH9
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BU of 1ph9 by Molmil
CRYSTAL STRUCTURE OF THE OXYTRICHA NOVA TELOMERE END-BINDING PROTEIN COMPLEXED WITH NONCOGNATE SSDNA GGGGTTTTGAGG
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*AP*GP*G)-3', 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3', CHLORIDE ION, ...
著者Theobald, D.L, Schultz, S.C.
登録日2003-05-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleotide Shuffling and ssDNA Recognition in Oxytricha Nova Telomere End-Binding Protein Complexes
Embo J., 22, 2003
1PH6
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BU of 1ph6 by Molmil
Crystal Structure of THE OXYTRICHA NOVA TELOMERE END-BINDING PROTEIN COMPLEXED WITH NONCOGNATE SSDNA GGGGTTTTGTGG
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3', 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*TP*GP*G)-3', SODIUM ION, ...
著者Theobald, D.L, Schultz, S.C.
登録日2003-05-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide Shuffling and ssDNA Recognition in Oxytricha Nova Telomere End-Binding Protein Complexes
Embo J., 22, 2003
1PHJ
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BU of 1phj by Molmil
CRYSTAL STRUCTURE OF THE OXYTRICHA NOVA TELOMERE END-BINDING PROTEIN COMPLEXED WITH NONCOGNATE SSDNA GG(3DR)GTTTTGGGG
分子名称: 5'-D(*GP*GP*(3DR)P*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*T)-3', Telomere-binding protein alpha subunit, ...
著者Theobald, D.L, Schultz, S.C.
登録日2003-05-29
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleotide Shuffling and ssDNA Recognition in Oxytricha Nova Telomere End-Binding Protein Complexes
Embo J., 22, 2003
2JQX
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BU of 2jqx by Molmil
Solution structure of Malate Synthase G from joint refinement against NMR and SAXS data
分子名称: Malate synthase G
著者Grishaev, A, Tugarinov, V, Kay, L.E, Trewhella, J, Bax, A.
登録日2007-06-13
公開日2007-07-10
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Refined solution structure of the 82-kDa enzyme malate synthase G from joint NMR and synchrotron SAXS restraints
J.Biomol.Nmr, 40, 2008
1OE2
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BU of 1oe2 by Molmil
Atomic Resolution Structure of D92E Mutant of Alcaligenes xylosoxidans Nitrite Reductase
分子名称: COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, TETRAETHYLENE GLYCOL
著者Ellis, M.J, Dodd, F.E, Sawers, G, Eady, R.R, Hasnain, S.S.
登録日2003-03-18
公開日2003-04-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Atomic Resolution Structures of Native Copper Nitrite Reductase from Alcaligenes Xylosoxidans and the Active Site Mutant Asp92Glu
J.Mol.Biol., 328, 2003
1IG0
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BU of 1ig0 by Molmil
Crystal Structure of yeast Thiamin Pyrophosphokinase
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Thiamin pyrophosphokinase
著者Baker, L.-J, Dorocke, J.A, Harris, R.A, Timm, D.E.
登録日2001-04-16
公開日2001-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of yeast thiamin pyrophosphokinase.
Structure, 9, 2001
7WZU
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BU of 7wzu by Molmil
Crystal structure of metallo-beta-lactamase IMP-6.
分子名称: Beta-lactamase, ZINC ION
著者Yamaguchi, Y, Kurosaki, H.
登録日2022-02-19
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Difference in the Inhibitory Effect of Thiol Compounds and Demetallation Rates from the Zn(II) Active Site of Metallo-beta-lactamases (IMP-1 and IMP-6) Associated with a Single Amino Acid Substitution.
Acs Infect Dis., 9, 2023
1OE3
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BU of 1oe3 by Molmil
Atomic resolution structure of 'Half Apo' NiR
分子名称: COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, TETRAETHYLENE GLYCOL
著者Ellis, M.J, Dodd, F.E, Sawers, G, Eady, R.R, Hasnain, S.S.
登録日2003-03-18
公開日2004-07-21
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Atomic Resolution Structures of Native Copper Nitrite Reductase from Alcaligenes Xylosoxidans and the Active Site Mutant Asp92Glu
J.Mol.Biol., 328, 2003
2C2T
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BU of 2c2t by Molmil
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate
分子名称: (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W.
登録日2005-09-30
公開日2007-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
3ZJ4
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BU of 3zj4 by Molmil
Neurospora Crassa Catalase-3 expressed in E. coli, triclinic form.
分子名称: CATALASE-3, PROTOPORPHYRIN IX CONTAINING FE
著者Zarate-Romero, A, Rudino-Pinera, E.
登録日2013-01-17
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
4PRF
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BU of 4prf by Molmil
A Second Look at the HDV Ribozyme Structure and Dynamics.
分子名称: Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A
著者Kapral, G.J, Jain, S, Noeske, J, Doudna, J.A, Richardson, D.C, Richardson, J.S.
登録日2014-03-05
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献New tools provide a second look at HDV ribozyme structure, dynamics and cleavage.
Nucleic Acids Res., 42, 2014
6KNR
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BU of 6knr by Molmil
Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699
分子名称: (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol, Estrogen-related receptor gamma
著者Yoon, H, Kim, J, Chin, J, Song, J, Cho, S.J.
登録日2019-08-07
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer.
Eur.J.Med.Chem., 205, 2020
6JDP
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BU of 6jdp by Molmil
the imm52 family protein TsiT (PA3908) from Pseudomonas aeruginosa
分子名称: Imm52 family protein, PHOSPHATE ION, SODIUM ION
著者She, Z.
登録日2019-02-02
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural characterization of the Imm52 family protein TsiT in Pseudomonas aeruginosa.
Protein Sci., 28, 2019
1GK6
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BU of 1gk6 by Molmil
Human vimentin coil 2B fragment linked to GCN4 leucine zipper (Z2B)
分子名称: VIMENTIN
著者Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
登録日2001-08-08
公開日2002-03-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
1GK4
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BU of 1gk4 by Molmil
HUMAN VIMENTIN COIL 2B FRAGMENT (CYS2)
分子名称: ACETATE ION, VIMENTIN
著者Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
登録日2001-08-08
公開日2002-03-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
1PVX
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DO-1,4-BETA-XYLANASE, ROOM TEMPERATURE, PH 4.5
分子名称: PROTEIN (ENDO-1,4-BETA-XYLANASE)
著者Rajeshkumar, P, Eswaramoorthy, S, Vithayathil, P.J, Viswamitra, M.A.
登録日1998-10-20
公開日1999-10-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The tertiary structure at 1.59 A resolution and the proposed amino acid sequence of a family-11 xylanase from the thermophilic fungus Paecilomyces varioti bainier.
J.Mol.Biol., 295, 2000

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