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6VKQ
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BU of 6vkq by Molmil
Crystal Structure of human PARP-1 CAT domain bound to inhibitor EB-47
分子名称: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Steffen, J.D, Pascal, J.M.
登録日2020-01-21
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
5L0U
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human POGLUT1 in complex with EGF(+) and UDP-phosphono-glucose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EGF(+), ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
6VKK
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BU of 6vkk by Molmil
Crystal Structure of human PARP-1 CAT domain bound to inhibitor rucaparib
分子名称: GLYCEROL, Poly [ADP-ribose] polymerase 1, Rucaparib, ...
著者Steffen, J.D, Pascal, J.M.
登録日2020-01-21
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
1KFD
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BU of 1kfd by Molmil
CRYSTAL STRUCTURES OF THE KLENOW FRAGMENT OF DNA POLYMERASE I COMPLEXED WITH DEOXYNUCLEOSIDE TRIPHOSPHATE AND PYROPHOSPHATE
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA POLYMERASE I KLENOW FRAGMENT
著者Beese, L.S, Friedman, J.M, Steitz, T.A.
登録日1993-09-23
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Crystal structures of the Klenow fragment of DNA polymerase I complexed with deoxynucleoside triphosphate and pyrophosphate.
Biochemistry, 32, 1993
5A14
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BU of 5a14 by Molmil
Human CDK2 with type II inhibitor
分子名称: 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2
著者Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S.
登録日2015-04-27
公開日2015-07-22
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
5L1F
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BU of 5l1f by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor Perampanel
分子名称: 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5A1I
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The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP.
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ...
著者Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
登録日2015-04-30
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Proc.Natl.Acad.Sci.USA, 113, 2016
4ZS9
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BU of 4zs9 by Molmil
Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose
分子名称: CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ...
著者Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M.
登録日2015-05-13
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates.
J. Biol. Chem., 291, 2016
6W1K
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BU of 6w1k by Molmil
Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Oryza sativa
分子名称: 2-OXOADIPIC ACID, Hydroxyglutarate synthase, NICKEL (II) ION, ...
著者Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D.
登録日2020-03-04
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
6VJL
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BU of 6vjl by Molmil
Streptavidin mutant M112 (G26C/A46C)
分子名称: BIOTIN, Streptavidin
著者Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S.
登録日2020-01-16
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Sci Rep, 10, 2020
5AJN
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BU of 5ajn by Molmil
Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ...
著者Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R.
登録日2015-02-26
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5KXQ
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BU of 5kxq by Molmil
mouse POFUT1 in complex with GDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Li, Z, Rini, J.M.
登録日2016-07-20
公開日2017-05-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
5L0V
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BU of 5l0v by Molmil
human POGLUT1 in complex with 2F-glucose modified EGF(+) and UDP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-glucopyranose, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
5L1E
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BU of 5l1e by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor CP465022
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.37 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
6V3W
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BU of 6v3w by Molmil
Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in complex with RBN-2397
分子名称: 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one, CHLORIDE ION, Protein mono-ADP-ribosyltransferase PARP12
著者Swinger, K.K, Gozgit, J.M, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W.
登録日2019-11-26
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity.
Cancer Cell, 39, 2021
5A1M
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BU of 5a1m by Molmil
Crystal structure of calcium-bound human adseverin domain A3
分子名称: ADSEVERIN, CALCIUM ION
著者Chumnarnsilpa, S, Robinson, R.C, Grimes, J.M, Leyrat, C.
登録日2015-05-01
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Calcium-Controlled Conformational Choreography in the N-Terminal Half of Adseverin.
Nat.Commun., 6, 2015
4ZZE
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BU of 4zze by Molmil
Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with panose
分子名称: CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ...
著者Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Hachem, M.A.
登録日2015-05-22
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates.
J. Biol. Chem., 291, 2016
5AJO
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BU of 5ajo by Molmil
Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ...
著者Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R.
登録日2015-02-26
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5A2J
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Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP
分子名称: 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP
著者Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2015-05-20
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
3G9Y
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BU of 3g9y by Molmil
Crystal structure of the second zinc finger from ZRANB2/ZNF265 bound to 6 nt ssRNA sequence AGGUAA
分子名称: RNA (5'-R(*AP*GP*GP*UP*AP*A)-3'), ZINC ION, Zinc finger Ran-binding domain-containing protein 2
著者Loughlin, F.E, McGrath, A.P, Lee, M, Guss, J.M, Mackay, J.P.
登録日2009-02-15
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The zinc fingers of the SR-like protein ZRANB2 are single-stranded RNA-binding domains that recognize 5' splice site-like sequences
Proc.Natl.Acad.Sci.USA, 106, 2009
6W1H
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BU of 6w1h by Molmil
Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Pseudomonas putida
分子名称: 2-OXOADIPIC ACID, Hydroxyglutarate synthase, NICKEL (II) ION
著者Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D.
登録日2020-03-04
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
5LHD
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BU of 5lhd by Molmil
Structure of glycosylated human aminopeptidase N
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Recacha, R, Mudgal, G, Santiago, C, Casasnovas, J.M.
登録日2016-07-11
公開日2017-04-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection.
Sci Rep, 7, 2017
6W1R
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BU of 6w1r by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
4ZZA
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BU of 4zza by Molmil
Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose, selenomethionine derivative
分子名称: Sugar binding protein of ABC transporter system, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose
著者Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M.
登録日2015-05-22
公開日2016-06-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates.
J. Biol. Chem., 291, 2016
6W1P
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RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020

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