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9FPE
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BU of 9fpe by Molmil
Wild type Purine Nucleoside Phosphorylase from E.coli in complex with N2,3-etheno-2-aminopurine
分子名称: GLYCEROL, N,2,3-etheno-2-aminopurine, PHOSPHATE ION, ...
著者Narczyk, M, Krystian, M, Stachelska-Wierzchowska, A, Wierzchowski, J.
登録日2024-06-13
公開日2024-10-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Interaction of Tri-Cyclic Nucleobase Analogs with Enzymes of Purine Metabolism: Xanthine Oxidase and Purine Nucleoside Phosphorylase.
Int J Mol Sci, 25, 2024
9FXE
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D204N mutant of Purine Nucleoside Phosphorylase from E.coli in complex with N2,3-etheno-2-aminopurine
分子名称: N,2,3-etheno-2-aminopurine, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
著者Narczyk, M, Stachelska-Wierzchowska, A, Wierzchowski, J.
登録日2024-07-01
公開日2024-10-30
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Interaction of Tri-Cyclic Nucleobase Analogs with Enzymes of Purine Metabolism: Xanthine Oxidase and Purine Nucleoside Phosphorylase.
Int J Mol Sci, 25, 2024
2BMV
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BU of 2bmv by Molmil
Apoflavodoxin from Helicobacter pylori
分子名称: BENZAMIDINE, CHLORIDE ION, FLAVODOXIN
著者Martinez-Julvez, M, Hermoso, J.A, Sancho, J, Perez-Dorado, I, Cremades, N, Bueno, M.
登録日2005-03-16
公開日2006-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Common Conformational Changes in Flavodoxins Induced by Fmn and Anion Binding: The Structure of Helicobacter Pylori Apoflavodoxin.
Proteins, 69, 2007
4FCP
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BU of 4fcp by Molmil
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
著者Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
5KOC
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BU of 5koc by Molmil
Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Torres, M.A, Hoffarth, E, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-06-30
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KOK
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BU of 5kok by Molmil
Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25
分子名称: (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pavine N-methyltransferase, ...
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-06-30
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KPC
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BU of 5kpc by Molmil
Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6
分子名称: Pavine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-03
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
1PQQ
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BU of 1pqq by Molmil
NMR Structure of a Cyclic Polyamide-DNA Complex
分子名称: 45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE, 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*GP*TP*TP*AP*GP*CP*G)-3'
著者Zhang, Q, Dwyer, T.J, Tsui, V, Case, D.A, Cho, J, Dervan, P.B, Wemmer, D.E.
登録日2003-06-18
公開日2004-06-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structure of a Cyclic Polyamide-DNA Complex.
J.Am.Chem.Soc., 126, 2004
4OYH
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BU of 4oyh by Molmil
Structure of Bacillus subtilis MobB
分子名称: Molybdopterin-guanine dinucleotide biosynthesis protein B, SULFATE ION
著者Kim, D, Choe, J.
登録日2014-02-12
公開日2015-03-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Bacillus subtilis MobB
To Be Published
4UMN
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BU of 4umn by Molmil
Structure of a stapled peptide antagonist bound to Nutlin-resistant Mdm2.
分子名称: E3 ubiquitin-protein ligase Mdm2, M06
著者Chee, S, Wongsantichon, J, Quah, S, Robinson, R.C, Verma, C, Lane, D.P, Brown, C.J, Ghadessy, F.J.
登録日2014-05-20
公開日2014-05-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of a stapled peptide antagonist bound to nutlin-resistant Mdm2.
PLoS ONE, 9, 2014
1DWS
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BU of 1dws by Molmil
PHOTOLYZED CARBONMONOXY MYOGLOBIN (HORSE HEART)
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I.
登録日1999-12-11
公開日2000-03-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
1DWR
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BU of 1dwr by Molmil
MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I.
登録日1999-12-11
公開日2000-03-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
1DWT
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BU of 1dwt by Molmil
Photorelaxed horse heart MYOGLOBIN CO complex
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I.
登録日1999-12-12
公開日2000-03-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
1DX9
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BU of 1dx9 by Molmil
W57A Apoflavodoxin from Anabaena
分子名称: Flavodoxin, SULFATE ION
著者Romero, A, Sancho, J.
登録日1999-12-23
公開日2000-04-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissecting the Energetics of the Apoflavodoxin-Fmn Complex
J.Biol.Chem., 275, 2000
7PZJ
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BU of 7pzj by Molmil
Structure of a bacteroidetal polyethylene terephthalate (PET) esterase
分子名称: Lipase, POTASSIUM ION
著者Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R.
登録日2021-10-12
公開日2022-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity.
Front Microbiol, 12, 2021
7P00
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BU of 7p00 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
登録日2021-06-29
公開日2021-12-15
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
7P02
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BU of 7p02 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gs complex
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
登録日2021-06-29
公開日2021-12-15
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
6X9H
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BU of 6x9h by Molmil
Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1)
分子名称: 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ...
著者Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
6XLQ
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Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab
分子名称: Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain
著者Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R.
登録日2020-06-29
公開日2020-09-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
5K0K
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434
分子名称: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V.
登録日2016-05-17
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
5K0X
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541
分子名称: (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
著者McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X.
登録日2016-05-17
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017
5KN4
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BU of 5kn4 by Molmil
Pavine N-methyltransferase apoenzyme pH 6.0
分子名称: Pavine N-methyltransferase
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-06-27
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KPG
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Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-04
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
6FJ3
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High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.
分子名称: ACETIC ACID, CHLORIDE ION, OLEIC ACID, ...
著者Ehrenmann, J, Schoppe, J, Klenk, C, Rappas, M, Kummer, L, Dore, A.S, Pluckthun, A.
登録日2018-01-19
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.
Nat. Struct. Mol. Biol., 25, 2018
4Y7N
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The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, L, Chong, J, Wang, D.
登録日2015-02-15
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015

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