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1GQY
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BU of 1gqy by Molmil
MURC - CRYSTAL STRUCTURE OF THE ENZYME FROM HAEMOPHILUS INFLUENZAE COMPLEXED WITH AMPPCP
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE
著者Skarzynski, T, Cleasby, A, Domenici, E, Gevi, M, Shaw, J.
登録日2001-12-06
公開日2003-06-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
To be Published
2OVZ
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BU of 2ovz by Molmil
MMP-9 active site mutant with phosphinate inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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
1LLO
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BU of 1llo by Molmil
HEVAMINE A (A PLANT ENDOCHITINASE/LYSOZYME) COMPLEXED WITH ALLOSAMIDIN
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Hevamine-A
著者Terwisscha Van Scheltinga, A.C, Armand, S, Kalk, K.H, Isogai, A, Henrissat, B, Dijkstra, B.W.
登録日1995-11-08
公開日1996-03-08
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Stereochemistry of chitin hydrolysis by a plant chitinase/lysozyme and X-ray structure of a complex with allosamidin: evidence for substrate assisted catalysis.
Biochemistry, 34, 1995
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
1H2S
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BU of 1h2s by Molmil
Molecular basis of transmenbrane signalling by sensory rhodopsin II-transducer complex
分子名称: RETINAL, SENSORY RHODOPSIN II, SENSORY RHODOPSIN II TRANSDUCER, ...
著者Gordeliy, V.I, Labahn, J, Moukhametzianov, R, Efremov, R, Granzin, J, Schlesinger, R, Bueldt, G, Savopol, T, Scheidig, A, Klare, J.P, Engelhard, M.
登録日2002-08-15
公開日2002-10-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Molecular Basis of Transmembrane Signalling by Sensory Rhodopsin II-Transducer Complex
Nature, 419, 2002
2PEL
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BU of 2pel by Molmil
PEANUT LECTIN
分子名称: CALCIUM ION, MANGANESE (II) ION, PEANUT LECTIN, ...
著者Banerjee, R, Das, K, Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M.
登録日1995-08-23
公開日1996-12-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Conformation, protein-carbohydrate interactions and a novel subunit association in the refined structure of peanut lectin-lactose complex.
J.Mol.Biol., 259, 1996
1HEK
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BU of 1hek by Molmil
Crystal structure of equine infectious anaemia virus matrix antigen (EIAV MA)
分子名称: GAG POLYPROTEIN, CORE PROTEIN P15
著者Hatanaka, H, Iourin, O, Rao, Z, Fry, E, Kingsman, A, Stuart, D.I.
登録日2000-11-24
公開日2001-11-23
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Equine Infectious Anemia Virus Matrix Protein.
J.Virol., 76, 2002
8EYP
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BU of 8eyp by Molmil
Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal
分子名称: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C.
登録日2022-10-28
公開日2024-02-14
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
2OWM
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BU of 2owm by Molmil
Motor domain of Neurospora crassa kinesin-3 (NcKin3)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Related to KINESIN-LIKE PROTEIN KIF1C
著者Marx, A, Muller, J, Mandelkow, E.-M, Woehlke, G, Mandelkow, E.
登録日2007-02-16
公開日2008-01-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献X-ray Structure and Microtubule Interaction of the Motor Domain of Neurospora crassa NcKin3, a Kinesin with Unusual Processivity
Biochemistry, 47, 2008
1YF3
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BU of 1yf3 by Molmil
T4Dam in Complex with AdoHcy and 13-mer Oligonucleotide Making Non- and Semi-specific (~1/4) Contact
分子名称: 5'-D(*AP*CP*CP*AP*TP*GP*AP*TP*CP*TP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*CP*AP*TP*GP*G)-3', DNA adenine methylase, ...
著者Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
登録日2004-12-30
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
8EJV
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BU of 8ejv by Molmil
The crystal structure of Pseudomonas putida PcaR in complex with succinate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Pham, C, Skarina, T, Di Leo, R, Stogios, P.J, Mahadevan, R, Savchenko, A.
登録日2022-09-19
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The crystal structure of Pseudomonas putida PcaR in complex with succinate
To Be Published
8EJU
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BU of 8eju by Molmil
The crystal structure of Pseudomonas putida PcaR
分子名称: CHLORIDE ION, PHOSPHATE ION, Transcription regulatory protein (Pca regulon), ...
著者Pham, C, Skarina, T, Di Leo, R, Stogios, P.J, Mahadevan, R, Savchenko, A.
登録日2022-09-19
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The crystal structure of Pseudomonas putida PcaR
To Be Published
1GTP
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BU of 1gtp by Molmil
GTP CYCLOHYDROLASE I
分子名称: GTP CYCLOHYDROLASE I, SULFATE ION
著者Nar, H, Huber, R, Meining, W, Bacher, A.
登録日1995-09-16
公開日1996-11-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Atomic structure of GTP cyclohydrolase I.
Structure, 3, 1995
1OF8
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double complex of the tyrosine sensitive DAHP Synthase from S. cerevisiae with Co2+, PEP and the E4P analogoue G3P
分子名称: COBALT (II) ION, GLYCEROL, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ...
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R.
登録日2003-04-08
公開日2004-04-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
J.Mol.Biol., 337, 2004
1GVL
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BU of 1gvl by Molmil
Human prokallikrein 6 (hK6)/ prozyme/ proprotease M/ proneurosin
分子名称: KALLIKREIN 6
著者Gomis-Ruth, F.X, Bayes, A, Sotiropoulou, G, Pampalakis, G, Tsetsenis, T, Villegas, V, Aviles, F.X, Coll, M.
登録日2002-02-14
公開日2002-05-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of Human Prokallikrein 6 Reveals a Novel Activation Mechanism for the Kallikrein Family.
J.Biol.Chem., 277, 2002
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
1YFL
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BU of 1yfl by Molmil
T4Dam in Complex with Sinefungin and 16-mer Oligonucleotide Showing Semi-specific and Specific Contact and Flipped Base
分子名称: 5'-D(P*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*GP*A)-3', DNA adenine methylase, SINEFUNGIN
著者Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
登録日2005-01-03
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
8F9O
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Dog sialic acid esterase (SIAE)
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, Sialic acid acetylesterase, ...
著者Ide, D, Gorelik, A, Illes, K, Nagar, B.
登録日2022-11-24
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Dog sialic acid esterase (SIAE)
To Be Published
1QFR
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BU of 1qfr by Molmil
NMR SOLUTION STRUCTURE OF PHOSPHOCARRIER PROTEIN HPR FROM ENTEROCOCCUS FAECALIS
分子名称: PHOSPHOCARRIER PROTEIN HPR
著者Maurer, T, Doeker, R, Goerler, A, Hengstenberg, W, Kalbitzer, H.R.
登録日1999-04-13
公開日2001-02-28
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of the histidine-containing phosphocarrier protein (HPr) from Enterococcus faecalis in solution.
Eur.J.Biochem., 268, 2001
8F9Q
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Guinea pig sialic acid esterase (SIAE)
分子名称: Sialic acid acetylesterase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ide, D, Gorelik, A, Illes, K, Nagar, B.
登録日2022-11-24
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Guinea pig sialic acid esterase (SIAE)
To Be Published
8F6S
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LSD1-CoREST in complex with T105
分子名称: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
著者Caroli, J, Mattevi, A.
登録日2022-11-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8F9P
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Dog sialic acid esterase (SIAE) inactive mutant S128A
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, ACETATE ION, ...
著者Ide, D, Gorelik, A, Illes, K, Nagar, B.
登録日2022-11-24
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dog sialic acid esterase (SIAE) inactive mutant S128A
To Be Published
1GZW
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BU of 1gzw by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN GALECTIN-1
分子名称: BETA-MERCAPTOETHANOL, GALECTIN-1, SULFATE ION, ...
著者Lopez-Lucendo, M.I.F, Gabius, H.J, Romero, A.
登録日2002-06-07
公開日2004-01-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
8F30
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LSD1-CoREST in complex with AW2, long soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
著者Caroli, J, Mattevi, A.
登録日2022-11-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published

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