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PDB: 6628 件
4AJP
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BU of 4ajp by Molmil
Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid
分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ...
著者Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G.
登録日2012-02-16
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
1P92
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BU of 1p92 by Molmil
Crystal Structure of (H79A)DtxR
分子名称: BETA-MERCAPTOETHANOL, Diphtheria toxin repressor
著者D'Aquino, J.A, Ringe, D.
登録日2003-05-08
公開日2004-05-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Determinants of the SRC homology domain 3-like fold.
J.Bacteriol., 185, 2003
4AH3
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BU of 4ah3 by Molmil
Crystal structure of the holo omega-transaminase from Chromobacterium violaceum
分子名称: OMEGA-TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE
著者Sayer, C, Isupov, M.N, Littlechild, J.A.
登録日2012-02-03
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity.
Acta Crystallogr.,Sect.D, 69, 2013
3OZY
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BU of 3ozy by Molmil
Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg and m-Xylarate
分子名称: ACETIC ACID, D-xylaric acid, GLYCEROL, ...
著者Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
登録日2010-09-27
公開日2011-09-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2994 Å)
主引用文献Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg and m-Xylarate
To be Published
4AL7
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BU of 4al7 by Molmil
Crystal structure of the Csy4-minimal crRNA complex
分子名称: 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*AP*G)-3', CSY4 ENDORIBONUCLEASE
著者Haurwitz, R.E, Sternberg, S.H, Doudna, J.A.
登録日2012-03-02
公開日2012-06-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Csy4 Relies on an Unusual Catalytic Dyad to Position and Cleave Crispr RNA.
Embo J., 31, 2012
1P6N
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BU of 1p6n by Molmil
Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
1OY7
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Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEVVAVKSE peptide, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J.
登録日2003-04-03
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
3P2S
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BU of 3p2s by Molmil
Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in an open conformation
分子名称: Fluoroacetyl coenzyme A thioesterase
著者Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y.
登録日2010-10-04
公開日2010-10-20
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
1P1L
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BU of 1p1l by Molmil
Structure of the Periplasmic divalent cation tolerance protein CutA from Archaeoglobus fulgidus
分子名称: Periplasmic divalent cation tolerance protein CUTA
著者Kniewel, R, Buglino, J.A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-04-12
公開日2003-04-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Periplasmic divalent cation tolerance protein CutA from Archaeoglobus fulgidus
To be Published, 2003
3OS9
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BU of 3os9 by Molmil
Estrogen Receptor
分子名称: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
著者Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
登録日2010-09-08
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
6ZAG
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BU of 6zag by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4001 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAE
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BU of 6zae by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV under anaerobic conditions.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAN
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BU of 6zan by Molmil
Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV.
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAI
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BU of 6zai by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 1600ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5501 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAQ
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BU of 6zaq by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure
分子名称: FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAO
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BU of 6zao by Molmil
Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen.
分子名称: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAH
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BU of 6zah by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 800ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAL
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BU of 6zal by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms without glycerol.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAP
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BU of 6zap by Molmil
Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions.
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAF
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BU of 6zaf by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4001 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAJ
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BU of 6zaj by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5301 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAM
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Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions.
分子名称: 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
4C61
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Inhibitors of Jak2 Kinase domain
分子名称: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
著者Read, J.A, Green, I, Pollard, H, Howard, T.
登録日2013-09-17
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C6H
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Haloalkane dehalogenase with 1-hexanol
分子名称: CHLORIDE ION, HALOALKANE DEHALOGENASE, HEXAN-1-OL, ...
著者Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae.
FEBS Lett., 588, 2014
3Q4D
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Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala
分子名称: ALANINE, D-ALANINE, MAGNESIUM ION, ...
著者Lukk, T, Gerlt, J.A, Nair, S.K.
登録日2010-12-23
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012

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