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7E3U
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BU of 7e3u by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU
分子名称: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, D-hydantoinase/dihydropyrimidinase, ZINC ION
著者Yang, Y.C, Luo, R.H, Huang, Y.H, Huang, C.Y, Lin, E.S.
登録日2021-02-09
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.159 Å)
主引用文献Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Bioinorg Chem Appl, 2022, 2022
3NUC
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BU of 3nuc by Molmil
STAPHLOCOCCAL NUCLEASE, 1-N-PROPANE THIOL DISULFIDE TO V23C VARIANT
分子名称: CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE
著者Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O.
登録日1997-12-06
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mobile unnatural amino acid side chains in the core of staphylococcal nuclease.
Protein Sci., 5, 1996
4BP9
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BU of 4bp9 by Molmil
Oligopeptidase B from Trypanosoma brucei with covalently bound antipain - closed form
分子名称: ANTIPAIN, OLIGOPEPTIDASSE B
著者Canning, P, Rea, D, Morty, R, Fulop, V.
登録日2013-05-23
公開日2014-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structures of Trypanosoma Brucei Oligopeptidase B Broaden the Paradigm of Catalytic Regulation in Prolyl Oligopeptidase Family Enzymes.
Plos One, 8, 2013
3PPM
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BU of 3ppm by Molmil
Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
分子名称: 1-DODECANOL, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ...
著者Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C.
登録日2010-11-24
公開日2011-11-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
3Q2D
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BU of 3q2d by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
分子名称: 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase
著者Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2010-12-20
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3PTE
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BU of 3pte by Molmil
THE REFINED CRYSTALLOGRAPHIC STRUCTURE OF A DD-PEPTIDASE PENICILLIN-TARGET ENZYME AT 1.6 A RESOLUTION
分子名称: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
著者Kelly, J.A, Kuzin, A.P.
登録日1994-08-05
公開日1995-08-15
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The refined crystallographic structure of a DD-peptidase penicillin-target enzyme at 1.6 A resolution.
J.Mol.Biol., 254, 1995
3P5S
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BU of 3p5s by Molmil
Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD38 molecule, SULFATE ION, ...
著者Egea, P.F, Muller-Stauffler, H, Kohn, I, Cakou-Kefir, C, Stroud, R.M, Kellenberburger, E, Schuber, F.
登録日2010-10-10
公開日2011-10-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Plos One, 7, 2012
3PCD
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BU of 3pcd by Molmil
PROTOCATECHUATE 3,4-DIOXYGENASE Y447H MUTANT
分子名称: BETA-MERCAPTOETHANOL, CARBONATE ION, FE (III) ION, ...
著者Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
登録日1997-11-24
公開日1998-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The axial tyrosinate Fe3+ ligand in protocatechuate 3,4-dioxygenase influences substrate binding and product release: evidence for new reaction cycle intermediates.
Biochemistry, 37, 1998
4FO2
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BU of 4fo2 by Molmil
Heat-labile enterotoxin LT-IIb-B5(T13I) mutant
分子名称: ACETATE ION, Heat-labile enterotoxin IIB, B chain, ...
著者Cody, V, Pace, J, Nawar, H, Liang, S, Connell, T, Hajishengallis, G.
登録日2012-06-20
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding.
Acta Crystallogr.,Sect.D, 68, 2012
3M9Z
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BU of 3m9z by Molmil
Crystal Structure of extracellular domain of mouse NKR-P1A
分子名称: Killer cell lectin-like receptor subfamily B member 1A, PHOSPHATE ION
著者Kolenko, P, Rozbesky, D, Bezouska, K, Hasek, J, Dohnalek, J.
登録日2010-03-23
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular architecture of mouse activating NKR-P1 receptors.
J.Struct.Biol., 175, 2011
3MAT
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BU of 3mat by Molmil
E.COLI METHIONINE AMINOPEPTIDASE TRANSITION-STATE INHIBITOR COMPLEX
分子名称: COBALT (II) ION, METHIONINE AMINOPEPTIDASE, SODIUM ION, ...
著者Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W.
登録日1999-03-29
公開日1999-06-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis.
Biochemistry, 38, 1999
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
分子名称: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
著者Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
4FIT
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BU of 4fit by Molmil
FHIT-APO
分子名称: FRAGILE HISTIDINE TRIAD PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
4GEP
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BU of 4gep by Molmil
SULFITE REDUCTASE HEMOPROTEIN CYANIDE COMPLEX REDUCED WITH CRII EDTA
分子名称: CYANIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ...
著者Crane, B.R, Getzoff, E.D.
登録日1997-07-10
公開日1998-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
4G93
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BU of 4g93 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN HEPATITIS B VIRUS T = 4 CAPSID, ADYW STRAIN, in COMPLEX WITH THE PHENYLPROPENAMIDE ASSEMBLY ACCELERATOR AT-130
分子名称: Capsid protein, N-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
著者Katen, S.P, Zlotnick, A.
登録日2012-07-23
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Assembly-directed antivirals differentially bind quasiequivalent pockets to modify hepatitis B virus capsid tertiary and quaternary structure.
Structure, 21, 2013
2VKA
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BU of 2vka by Molmil
Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus eryngii Versatile Peroxidase
分子名称: CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ruiz-Duenas, F.J, Morales, M, Mate, M.J, Romero, A, Martinez, M.J, Smith, A, Martinez, A.T.
登録日2007-12-18
公開日2008-01-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus Eryngii Versatile Peroxidase
Biochemistry, 47, 2008
2V7E
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BU of 2v7e by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 (CARM1), unliganded
分子名称: HISTONE-ARGININE METHYLTRANSFERASE CARM1, MERCURY (II) ION
著者Yue, W.W, Hassler, M, Roe, S.M, Thompson-Vale, V, Pearl, L.H.
登録日2007-07-30
公開日2007-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights Into Histone Code Syntax from Structural and Biochemical Studies of Carm1 Methyltransferase
Embo J., 26, 2007
2V74
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BU of 2v74 by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 (CARM1), in complex with S-adenosyl-homocysteine
分子名称: HISTONE-ARGININE METHYLTRANSFERASE CARM1, S-ADENOSYL-L-HOMOCYSTEINE
著者Yue, W.W, Hassler, M, Roe, S.M, Thompson-Vale, V, Pearl, L.H.
登録日2007-07-26
公開日2007-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights Into Histone Code Syntax from Structural and Biochemical Studies of Carm1 Methyltransferase
Embo J., 26, 2007
7WG7
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BU of 7wg7 by Molmil
Acidic Omicron Spike Trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Cui, Z.
登録日2021-12-28
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
7WGC
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BU of 7wgc by Molmil
Neutral Omicron Spike Trimer in complex with ACE2.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Cui, Z.
登録日2021-12-28
公開日2022-06-22
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
7WG9
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BU of 7wg9 by Molmil
Delta Spike Trimer(1 RBD Up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cui, Z.
登録日2021-12-28
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
1E60
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BU of 1e60 by Molmil
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
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, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
著者Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
登録日2000-08-06
公開日2000-08-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
7WGB
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BU of 7wgb by Molmil
Neutral Omicron Spike Trimer in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者Cui, Z.
登録日2021-12-28
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
2VKL
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BU of 2vkl by Molmil
X-ray crystal structure of the intracellular Chorismate mutase from Mycobactrerium Tuberculosis in complex with malate
分子名称: D-MALATE, RV0948C/MT0975
著者Okvist, M, Roderer, K, Sasso, S, Kast, P, Krengel, U.
登録日2007-12-20
公開日2008-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Function of a Complex between Chorismate Mutase and Dahp Synthase: Efficiency Boost for the Junior Partner.
Embo J., 28, 2009
7WG8
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Delta Spike Trimer(3 RBD Down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cui, Z.
登録日2021-12-28
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022

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