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2IHQ
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BU of 2ihq by Molmil
Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin
分子名称: 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE, Androgen receptor
著者Sack, J.S.
登録日2006-09-27
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold.
J.Med.Chem., 49, 2006
3BEN
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BU of 3ben by Molmil
Structure of N-(12-imidazolyl-dodecanoyl)-L-leucine inhibitor bound to the heme domain of Cytochrome P450-BM3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 102, MAGNESIUM ION, ...
著者Tomchick, D.R.
登録日2007-11-19
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of inhibitor-bound P450BM-3 reveals open conformation of substrate access channel.
Biochemistry, 47, 2008
2K3U
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BU of 2k3u by Molmil
Structure of the tyrosine-sulfated C5a receptor N-terminus in complex with the immune evasion protein CHIPS.
分子名称: C5a anaphylatoxin chemotactic receptor 1, Chemotaxis inhibitory protein
著者Ippel, J.H, Bunschoten, A, Kemmink, J, Liskamp, R.
登録日2008-05-16
公開日2009-03-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structure of the Tyrosine-sulfated C5a Receptor N Terminus in Complex with Chemotaxis Inhibitory Protein of Staphylococcus aureus.
J.Biol.Chem., 284, 2009
5K9A
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BU of 5k9a by Molmil
Sortase A from Corynebacterium diphtheriae
分子名称: Putative fimbrial associated sortase-like protein, SULFATE ION
著者Osipiuk, J, Huang, I.-H, Ma, X, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-05-31
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking.
Proc.Natl.Acad.Sci.USA, 115, 2018
5KRE
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BU of 5kre by Molmil
Covalent inhibitor of LYPLAL1
分子名称: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION
著者Pandit, J.
登録日2016-07-07
公開日2016-07-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism.
Acs Chem.Biol., 11, 2016
1MAF
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BU of 1maf by Molmil
The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor
分子名称: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE
著者Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
登録日1992-05-20
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
1MAE
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BU of 1mae by Molmil
The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor
分子名称: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE
著者Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
登録日1992-05-20
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
7SSJ
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BU of 7ssj by Molmil
Crystal structure of the DesK-DesR complex in the phosphatase state
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Trajtenberg, F, Buschiazzo, A.
登録日2021-11-11
公開日2022-11-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis.
Sci.Signal., 16, 2023
7TMW
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BU of 7tmw by Molmil
Cryo-EM structure of the relaxin receptor RXFP1 in complex with heterotrimeric Gs
分子名称: Camelid antibody VHH fragment Nb35, 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Erlandson, S.C, Rawson, S, Kruse, A.C.
登録日2022-01-20
公開日2023-02-15
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The relaxin receptor RXFP1 signals through a mechanism of autoinhibition.
Nat.Chem.Biol., 19, 2023
1BT7
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BU of 1bt7 by Molmil
THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES
分子名称: NS3 SERINE PROTEASE, ZINC ION
著者Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R.
登録日1998-09-01
公開日1999-06-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
6ZUJ
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BU of 6zuj by Molmil
Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen).
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
登録日2020-07-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
6ZSP
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BU of 6zsp by Molmil
Human serine racemase bound to ATP and malonate.
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
登録日2020-07-16
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
1CEG
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BU of 1ceg by Molmil
CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE
分子名称: CEPHALOTHIN GROUP, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
著者Knox, J.R, Kuzin, A.P.
登録日1995-01-12
公開日1996-10-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
1CEF
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BU of 1cef by Molmil
CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Knox, J.R, Kuzin, A.P.
登録日1995-01-12
公開日1996-10-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
1L34
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BU of 1l34 by Molmil
HIGH-RESOLUTION STRUCTURE OF THE TEMPERATURE-SENSITIVE MUTANT OF PHAGE LYSOZYME, ARG 96 (RIGHT ARROW) HIS
分子名称: T4 LYSOZYME
著者Weaver, L.H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution structure of the temperature-sensitive mutant of phage lysozyme, Arg 96----His.
Biochemistry, 28, 1989
2WJO
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BU of 2wjo by Molmil
human Bace (beta secretase) in complex with Cyclohexanecarboxylic acid (2-(2-am ino-6-phenoxy-4H-quinazolin-3-yl)-2 -cyclohexyl-ethyl)- amide
分子名称: 2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM, BETA-SECRETASE 1
著者Mathieu, M, Dupuy, A.S.
登録日2009-05-28
公開日2010-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Shape and Medicinal Chemistry: A Perspective.
J.Med.Chem., 53, 2010
8QZG
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BU of 8qzg by Molmil
1,3 L,D-transpeptidase from Gluconobacter oxydans
分子名称: CHLORIDE ION, SODIUM ION, YkuD domain-containing protein
著者ter Beek, J, Berntsson, R.P.
登録日2023-10-27
公開日2023-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria.
Nat Commun, 15, 2024
3EZX
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BU of 3ezx by Molmil
Structure of Methanosarcina barkeri monomethylamine corrinoid protein
分子名称: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, MAGNESIUM ION, Monomethylamine corrinoid protein 1
著者Jain, R.
登録日2008-10-23
公開日2009-12-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure of Methanosarcina barkeri monomethylamine corrinoid protein
TO BE PUBLISHED
1L21
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BU of 1l21 by Molmil
CONTRIBUTIONS OF LEFT-HANDED HELICAL RESIDUES TO THE STRUCTURE AND STABILITY OF BACTERIOPHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Contributions of left-handed helical residues to the structure and stability of bacteriophage T4 lysozyme.
J.Mol.Biol., 210, 1989
1L24
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BU of 1l24 by Molmil
ENHANCED PROTEIN THERMOSTABILITY FROM SITE-DIRECTED MUTATIONS THAT DECREASE THE ENTROPY OF UNFOLDING
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enhanced protein thermostability from site-directed mutations that decrease the entropy of unfolding.
Proc.Natl.Acad.Sci.USA, 84, 1987
1L18
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HYDROPHOBIC STABILIZATION IN T4 LYSOZYME DETERMINED DIRECTLY BY MULTIPLE SUBSTITUTIONS OF ILE 3
分子名称: T4 LYSOZYME
著者Matsumura, M, Dao-Pin, S, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hydrophobic stabilization in T4 lysozyme determined directly by multiple substitutions of Ile 3.
Nature, 334, 1988
7R7H
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BU of 7r7h by Molmil
Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors
分子名称: 3C-like proteinase, N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2021-06-24
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors.
Rsc Med Chem, 12, 2021
1L33
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BU of 1l33 by Molmil
CONTRIBUTIONS OF LEFT-HANDED HELICAL RESIDUES TO THE STRUCTURE AND STABILITY OF BACTERIOPHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contributions of left-handed helical residues to the structure and stability of bacteriophage T4 lysozyme.
J.Mol.Biol., 210, 1989
1L17
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HYDROPHOBIC STABILIZATION IN T4 LYSOZYME DETERMINED DIRECTLY BY MULTIPLE SUBSTITUTIONS OF ILE 3
分子名称: T4 LYSOZYME
著者Matsumura, M, Dao-Pin, S, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hydrophobic stabilization in T4 lysozyme determined directly by multiple substitutions of Ile 3.
Nature, 334, 1988
1L19
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ENHANCED PROTEIN THERMOSTABILITY FROM DESIGNED MUTATIONS THAT INTERACT WITH ALPHA-HELIX DIPOLES
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enhanced protein thermostability from designed mutations that interact with alpha-helix dipoles.
Nature, 336, 1988

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