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1GYN
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Class II fructose 1,6-bisphosphate aldolase with Cadmium (not Zinc) in the active site
分子名称: CADMIUM ION, FRUCTOSE-BISPHOSPHATE ALDOLASE II
著者Hall, D.R, Kemp, L.E, Leonard, G.A, Berry, A, Hunter, W.N.
登録日2002-04-27
公開日2003-02-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Organization of Divalent Cations in the Active Site of Cadmium Escherichia Coli Fructose 1,6-Bisphosphate Aldolase
Acta Crystallogr.,Sect.D, 59, 2003
1GQ4
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STRUCTURAL DETERMINANTS OF THE NHERF INTERACTION WITH BETA2AR AND PDGFR
分子名称: CHLORIDE ION, EZRIN-RADIXIN-MOESIN BINDING PHOSPHOPROTEIN-50
著者Karthikeyan, S, Leung, T, Ladias, J.A.A.
登録日2001-11-19
公開日2002-05-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Determinants of the Na+/H+ Exchanger Regulatory Factor Interaction with the Beta 2 Adrenergic and Platelet-Derived Growth Factor Receptors
J.Biol.Chem., 277, 2002
1GQM
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The structure of S100A12 in a hexameric form and its proposed role in receptor signalling
分子名称: CALCIUM ION, CALGRANULIN C
著者Moroz, O.V, Antson, A.A, Dodson, E.G, Burrel, H.J, Grist, S.J, Lloyd, R.M, Maitland, N.J, Dodson, G.G, Wilson, K.S, Lukanidin, E, Bronstein, I.B.
登録日2001-11-26
公開日2002-02-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structure of S100A12 in a Hexameric Form and its Proposed Role in Receptor Signalling
Acta Crystallogr.,Sect.D, 58, 2002
1GSM
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A reassessment of the MAdCAM-1 structure and its role in integrin recognition.
分子名称: MUCOSAL ADDRESSIN CELL ADHESION MOLECULE-1
著者Dando, J, Wilkinson, K.W, Ortlepp, S, King, D.J, Brady, R.L.
登録日2002-01-08
公開日2002-01-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Reassessment of the Madcam-1 Structure and its Role in Integrin Recognition
Acta Crystallogr.,Sect.D, 58, 2002
1GTK
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BU of 1gtk by Molmil
Time-resolved and static-ensemble structural chemistry of hydroxymethylbilane synthase
分子名称: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PORPHOBILINOGEN DEAMINASE
著者Helliwell, J.R, Nieh, Y.P, Raftery, J, Cassetta, A, Habash, J, Carr, P.D, Ursby, T, Wulff, M, Thompson, A.W, Niemann, A.C, Haedener, A.
登録日2002-01-16
公開日2003-01-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Time-Resolved and Static-Ensemble Structural Chemistry of Hydroxymethylbilane Synthase
Faraday Discuss., 122, 2003
4WVS
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BU of 4wvs by Molmil
Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
1GUS
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MopII from Clostridium pasteurianum (apo1)
分子名称: CHLORIDE ION, MAGNESIUM ION, MOLYBDATE BINDING PROTEIN II
著者Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
登録日2002-01-28
公開日2002-02-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
6YRP
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BU of 6yrp by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)
分子名称: 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-04-20
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020
8FO4
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BU of 8fo4 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 6-methyl-2-(2-((1E,2E)-3-(2-nitrophenyl)allylidene)hydrazineyl)pyrimidin-4-ol
分子名称: 6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one, H9 immunoglobulin light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2022-12-29
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
8FUJ
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HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T.
登録日2023-01-17
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
1GY9
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BU of 1gy9 by Molmil
Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli
分子名称: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ...
著者Elkins, J.M, Burzlaff, N.I, Ryle, M.J, Lloyd, J.S, Clifton, I.J, Baldwin, J.E, Hausinger, R.P, Roach, P.L.
登録日2002-04-22
公開日2002-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates.
Biochemistry, 41, 2002
1GZ8
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine
分子名称: 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL, CELL DIVISION PROTEIN KINASE 2
著者Davies, T, Endicott, J, Johnson, L, Noble, M, Tucker, J.
登録日2002-05-17
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
1H4D
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BU of 1h4d by Molmil
Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA
分子名称: CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A
著者Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T.
登録日2003-02-26
公開日2003-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba
J.Biol.Chem., 278, 2003
1H0R
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BU of 1h0r by Molmil
Type II Dehydroquinase from Mycobacterium tuberculosis complexed with 2,3-anhydro-quinic acid
分子名称: 2,3 -ANHYDRO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Roszak, A.W, Robinson, D.A, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J.
登録日2002-06-27
公開日2003-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Selectivity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
2DUT
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BU of 2dut by Molmil
Crystal structure of a M-loop deletion variant of MENT in the native conformation
分子名称: Heterochromatin-associated protein MENT
著者Whisstock, J.C, Buckle, A.M, McGowan, S, Irving, J.A.
登録日2006-07-26
公開日2006-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray crystal structure of MENT: evidence for functional loop-sheet polymers in chromatin condensation
Embo J., 25, 2006
8FIV
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
分子名称: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
著者Sacco, M, Wang, J, Chen, Y.
登録日2022-12-16
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
6YRW
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BU of 6yrw by Molmil
SHMT from Streptococcus thermophilus Tyr55Ser variant as internal aldimine and as non-covalent complex with D-Ser
分子名称: D-SERINE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I.
登録日2020-04-20
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus
To Be Published
1H0K
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BU of 1h0k by Molmil
Enoyl thioester reductase 2
分子名称: 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, SULFATE ION
著者Airenne, T.T, Torkko, J.M, Hiltunen, J.K.
登録日2002-06-20
公開日2003-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of Enoyl Thioester Reductase 2
To be Published
1H0H
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BU of 1h0h by Molmil
Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Raaijmakers, H.C.A.
登録日2002-06-19
公開日2003-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Gene Sequence and the 1.8 A Crystal Structure of the Tungsten-Containing Formate Dehydrogenase from Desulfovibrio Gigas
Structure, 10, 2002
8FIW
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
分子名称: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
著者Sacco, M, Wang, J, Chen, Y.
登録日2022-12-16
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
1GXD
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proMMP-2/TIMP-2 complex
分子名称: 72 KDA TYPE IV COLLAGENASE, CALCIUM ION, METALLOPROTEINASE INHIBITOR 2, ...
著者Morgunova, E, Tuuttila, A, Bergmann, U, Tryggvason, K.
登録日2002-04-02
公開日2002-07-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insight Into the Complex Formation of Latent Matrix Metalloproteinase 2 with Tissue Inhibitor of Metalloproteinase 2
Proc.Natl.Acad.Sci.USA, 99, 2002
1HD5
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Endoglucanase from Humicola insolens AT 1.7A resolution
分子名称: ENDOGLUCANASE
著者McAuley, K.E, Wilson, K.S, Schulein, M.
登録日2000-11-08
公開日2000-12-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Endoglucanase from Humicola Insolens at 1.7A Resolution
To be Published
2DGN
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Mouse Muscle Adenylosuccinate Synthetase partially ligated complex with GTP, 2'-deoxy-IMP
分子名称: 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE, Adenylosuccinate synthetase isozyme 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Iancu, C.V, Zhou, Y, Borza, T, Fromm, H.J, Honzatko, R.B.
登録日2006-03-15
公開日2006-09-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cavitation as a mechanism of substrate discrimination by adenylosuccinate synthetases.
Biochemistry, 45, 2006
1H7A
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Structural basis for allosteric substrate specificity regulation in class III ribonucleotide reductases: NRDD in complex with dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ANAEROBIC RIBONUCLEOTIDE-TRIPHOSPHATE REDUCTASE LARGE CHAIN, FE (II) ION, ...
著者Larsson, K.-M, Andersson, J, Sjoeberg, B.-M, Nordlund, P, Logan, D.T.
登録日2001-07-04
公開日2002-03-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Basis for Allosteric Substrate Specificty Regulation in Anaerobic Ribonucleotide Reductase
Structure, 9, 2001
1GX5
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Hepatitis C Virus RNA Polymerase in Complex with GTP and Manganese
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Bressanelli, S, Rey, F.A.
登録日2002-03-27
公開日2002-04-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Structural Analysis of the Hepatitis C Virus RNA Polymerase in Complex with Ribonucleotides
J.Virol., 76, 2002

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