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5WMV
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Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5WMW
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Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5WMX
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BU of 5wmx by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5A4K
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BU of 5a4k by Molmil
Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2015-06-10
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
7US7
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BU of 7us7 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)but-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-04-23
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
5H6R
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BU of 5h6r by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 13
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kkuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2016-11-14
Release date:2017-04-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
5H6Q
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BU of 5h6q by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 11
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2016-11-14
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
5X60
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BU of 5x60 by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 9
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2017-02-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
3ZHO
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BU of 3zho by Molmil
X-ray structure of E.coli Wrba in complex with FMN at 1.2 A resolution
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVOPROTEIN WRBA
Authors:Kishko, I, Lapkouski, M, Brynda, J, Kuty, M, Carey, J, Smatanova, I.K, Ettrich, R.
Deposit date:2012-12-23
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:1.2 A Resolution Crystal Structure of Escherichia Coli Wrba Holoprotein
Acta Crystallogr.,Sect.D, 69, 2013
6K9Y
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BU of 6k9y by Molmil
Crystal structure of human VAT-1
Descriptor: NITRATE ION, Synaptic vesicle membrane protein VAT-1 homolog
Authors:Watanabe, Y, Endo, T.
Deposit date:2019-06-19
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for interorganelle phospholipid transport mediated by VAT-1.
J.Biol.Chem., 295, 2020
5WHR
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BU of 5whr by Molmil
Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.
Descriptor: (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A.
Deposit date:2017-07-18
Release date:2017-12-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
6EHA
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BU of 6eha by Molmil
Heme oxygenase 1 in complex with inhibitor
Descriptor: 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grudnik, P, Mieczkowski, M.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Arch.Biochem.Biophys., 671, 2019
6G94
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BU of 6g94 by Molmil
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster.
Chem. Commun. (Camb.), 54, 2018
1NDO
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BU of 1ndo by Molmil
NAPHTHALENE 1,2-DIOXYGENASE
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, NAPHTHALENE 1,2-DIOXYGENASE
Authors:Ramaswamy, S, Kauppi, B, Carredano, E.
Deposit date:1998-01-11
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of an aromatic-ring-hydroxylating dioxygenase-naphthalene 1,2-dioxygenase.
Structure, 6, 1998
3BU7
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BU of 3bu7 by Molmil
Crystal Structure and Biochemical Characterization of GDOsp, a Gentisate 1,2-Dioxygenase from Silicibacter Pomeroyi
Descriptor: FE (II) ION, Gentisate 1,2-dioxygenase
Authors:Chen, J, Wang, M.Z, Zhu, G.Y, Zhang, X.C, Rao, Z.H.
Deposit date:2008-01-02
Release date:2008-08-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2-dioxygenase from Silicibacter pomeroyi.
Protein Sci., 17, 2008
1OJ9
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BU of 1oj9 by Molmil
HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH 1,4-DIPHENYL-2-BUTENE
Descriptor: 1,4-DIPHENYL-2-BUTENE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, Edmondson, D.E, Mattevi, A.
Deposit date:2003-07-08
Release date:2003-08-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights Into the Mode of Inhibition of Human Mitochondrial Monoamine Oxidase B from High-Resolution Crystal Structures
Proc.Natl.Acad.Sci.USA, 100, 2003
5M8Q
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BU of 5m8q by Molmil
Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with kojic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
Deposit date:2016-10-29
Release date:2017-07-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
1RNT
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BU of 1rnt by Molmil
RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION
Descriptor: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME
Authors:Saenger, W, Arni, R, Heinemann, U, Tokuoka, R.
Deposit date:1987-07-10
Release date:1987-10-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Restrained Least-Squares Refinement of the Crystal Structure of the Ribonuclease T1(Asterisk)2(Prime)-Guanylic Acid Complex at 1.9 Angstroms Resolution
Acta Crystallogr.,Sect.B, 43, 1987
4HUZ
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BU of 4huz by Molmil
2,6-Dichloro-p-hydroquinone 1,2-Dioxygenase
Descriptor: 2,6-dichloro-p-hydroquinone 1,2-dioxygenase, FE (III) ION, SULFATE ION
Authors:Hayes, R.P, Nissen, M.S, Green, A.R, Lewis, K.M, Xun, L, Kang, C.
Deposit date:2012-11-05
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural characterization of 2,6-dichloro-p-hydroquinone 1,2-dioxygenase (PcpA) from Sphingobium chlorophenolicum, a new type of aromatic ring-cleavage enzyme.
Mol.Microbiol., 88, 2013
7E0T
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BU of 7e0t by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36)
Descriptor: (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0S
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BU of 7e0s by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23)
Descriptor: (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ...
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0Q
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BU of 7e0q by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22)
Descriptor: (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
1TEM
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BU of 1tem by Molmil
6 ALPHA HYDROXYMETHYL PENICILLOIC ACID ACYLATED ON THE TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI
Descriptor: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, TEM-1 BETA LACTAMASE
Authors:Maveyraud, L, Massova, I, Samama, J.P, Mobashery, S.
Deposit date:1996-05-28
Release date:1997-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed to the Tem-1 Beta-Lactamase from Escherichia Coli: Evidence on the Mechanism of Action of a Novel Inhibitor Designed by a Computer-Aided Process
J.Am.Chem.Soc., 118, 1996
5M8P
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BU of 5m8p by Molmil
Crystal structure of human tyrosinase related protein 1 in complex with tyrosine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
Deposit date:2016-10-29
Release date:2017-07-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
3BEM
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BU of 3bem by Molmil
Crystal structure of putative nitroreductase ydfN (2632848) from Bacillus subtilis at 1.65 A resolution
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, NICKEL (II) ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-11-19
Release date:2007-12-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of putative nitroreductase ydfN (2632848) from Bacillus subtilis at 1.65 A resolution
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数据于2025-10-01公开中

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