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5ZGB
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BU of 5zgb by Molmil
Cryo-EM structure of the red algal PSI-LHCR
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Pi, X.
登録日2018-03-08
公開日2018-04-25
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Unique organization of photosystem I-light-harvesting supercomplex revealed by cryo-EM from a red alga
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3SA1
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Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1021
分子名称: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
2AOP
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BU of 2aop by Molmil
SULFITE REDUCTASE: REDUCED WITH CRII EDTA, SIROHEME FEII, [4FE-4S] +1, PHOSPHATE BOUND
分子名称: IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ...
著者Crane, B.R, Getzoff, E.D.
登録日1997-07-09
公開日1998-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange.
Biochemistry, 36, 1997
3NOY
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BU of 3noy by Molmil
Crystal structure of IspG (gcpE)
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, IRON/SULFUR CLUSTER
著者Groll, M, Graewert, T, Bacher, A.
登録日2010-06-26
公開日2010-11-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biosynthesis of isoprenoids: crystal structure of the [4Fe-4S] cluster protein IspG.
J.Mol.Biol., 404, 2010
3C3U
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BU of 3c3u by Molmil
Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2008-01-28
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid
J.Med.Chem., 51, 2008
1U31
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BU of 1u31 by Molmil
recombinant human heart transhydrogenase dIII bound with NADPH
分子名称: GLYCEROL, NAD(P) transhydrogenase, mitochondrial, ...
著者Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B.
登録日2004-07-20
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase.
Biochemistry, 43, 2004
1FHF
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BU of 1fhf by Molmil
THE STRUCTURE OF SOYBEAN PEROXIDASE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Henriksen, A, Mirza, O, Indiana, C, Welinder, K, Teilum, K, Gajhede, M.
登録日2000-08-01
公開日2001-02-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of soybean seed coat peroxidase: a plant peroxidase with unusual stability and haem-apoprotein interactions.
Protein Sci., 10, 2001
2AM9
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BU of 2am9 by Molmil
Crystal structure of human androgen receptor ligand binding domain in complex with testosterone
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Androgen receptor, GLYCEROL, ...
著者Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
登録日2005-08-09
公開日2006-05-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
3S87
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BU of 3s87 by Molmil
Structure of Yeast Ribonucleotide Reductase 1 with dGTP and ADP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
登録日2011-05-27
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published
3U5J
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BU of 3u5j by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam
分子名称: 1,2-ETHANEDIOL, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-10-11
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
2GER
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BU of 2ger by Molmil
Crystal Structure and Oxidative Mechanism of Human Pyrroline-5-carboxylate Reductase
分子名称: Pyrroline-5-carboxylate reductase 1
著者Meng, Z, Lou, Z, Liu, Z, Rao, Z.
登録日2006-03-20
公開日2006-09-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
2FZ9
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BU of 2fz9 by Molmil
Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking.
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
登録日2006-02-09
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
4Q33
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BU of 4q33 by Molmil
Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
分子名称: 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline, ACETIC ACID, FORMIC ACID, ...
著者Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-10
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.885 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
TO BE PUBLISHED
1R43
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BU of 1r43 by Molmil
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri (selenomethionine substituted protein)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-AMINO ISOBUTYRATE, ...
著者Lundgren, S, Gojkovic, Z, Piskur, J, Dobritzsch, D.
登録日2003-10-03
公開日2003-11-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Yeast beta-Alanine Synthase Shares a Structural Scaffold and Origin with Dizinc-dependent Exopeptidases
J.Biol.Chem., 278
1JRO
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BU of 1jro by Molmil
Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus
分子名称: CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Truglio, J.J, Theis, K, Leimkuhler, S, Rappa, R, Rajagopalan, K.V, Kisker, C.
登録日2001-08-14
公開日2002-01-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus
Structure, 10, 2002
3S8C
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BU of 3s8c by Molmil
Structure of Yeast Ribonucleotide Reductase 1 R293A with AMPPNP and CDP
分子名称: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
登録日2011-05-27
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
分子名称: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3SEF
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BU of 3sef by Molmil
2.4 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate and NADPH
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Shikimate 5-dehydrogenase
著者Halavaty, A.S, Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-06-10
公開日2011-07-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2.4 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate and NADPH
To be Published
1RY8
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BU of 1ry8 by Molmil
Prostaglandin F synthase complexed with NADPH and rutin
分子名称: Aldo-keto reductase family 1 member C3, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RUTIN
著者Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F.
登録日2003-12-19
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of human prostaglandin F synthase (AKR1C3).
Biochemistry, 43, 2004
3BMQ
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BU of 3bmq by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ...
著者Martini, V.P, Iulek, J, Hunter, W.N.
登録日2007-12-13
公開日2008-12-16
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
2DTD
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Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in ligand-free form
分子名称: Glucose 1-dehydrogenase related protein, SULFATE ION
著者Yasutake, Y, Nishiya, Y, Tamura, N, Tamura, T.
登録日2006-07-12
公開日2007-03-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into Unique Substrate Selectivity of Thermoplasma acidophilumd-Aldohexose Dehydrogenase
J.Mol.Biol., 367, 2007
2QK9
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Human RNase H catalytic domain mutant D210N in complex with 18-mer RNA/DNA hybrid
分子名称: 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*T)-3', 5'-R(*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3', CITRATE ANION, ...
著者Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W.
登録日2007-07-10
公開日2007-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription
Mol.Cell, 28, 2007
2DTX
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Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in complex with D-mannose
分子名称: Glucose 1-dehydrogenase related protein, SULFATE ION, beta-D-mannopyranose
著者Yasutake, Y, Nishiya, Y, Tamura, N, Tamura, T.
登録日2006-07-18
公開日2007-03-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Unique Substrate Selectivity of Thermoplasma acidophilumd-Aldohexose Dehydrogenase
J.Mol.Biol., 367, 2007
3ZWT
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BU of 3zwt by Molmil
Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
分子名称: 2-{[(2,5-DICHLOROPHENYL)METHYL]SULFANYL}-5-ETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, ACETATE ION, CHLORIDE ION, ...
著者Acklam, P.A, Parsons, M.R.
登録日2011-08-02
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Factors Influencing the Specificity of Inhibitor Binding to the Human and Malaria Parasite Dihydroorotate Dehydrogenases.
J.Med.Chem., 55, 2012
1FDI
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OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI COMPLEXED WITH THE INHIBITOR NITRITE
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, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ...
著者Sun, P.D, Boyington, J.C.
登録日1997-01-28
公開日1997-08-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster.
Science, 275, 1997

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