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6EAC
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BU of 6eac by Molmil
Pseudomonas syringae SelO
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
登録日2018-08-02
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.269 Å)
主引用文献Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018
4YES
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BU of 4yes by Molmil
Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin, ...
著者Orth, P.
登録日2015-02-24
公開日2015-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.
Acs Med.Chem.Lett., 6, 2015
7B21
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BU of 7b21 by Molmil
The X183 domain from Cellvibrio japonicus Cbp2D
分子名称: 1,2-ETHANEDIOL, Carbohydrate binding protein, putative, ...
著者Branch, J, Hemsworth, G.R.
登録日2020-11-25
公開日2021-07-21
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献C-type cytochrome-initiated reduction of bacterial lytic polysaccharide monooxygenases.
Biochem.J., 478, 2021
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
4ZAE
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BU of 4zae by Molmil
Development of a novel class of potent and selective FIXa inhibitors
分子名称: 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-04-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
著者Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKH
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BU of 8rkh by Molmil
Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, ...
著者Fahrenkamp, D, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKE
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BU of 8rke by Molmil
Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fahrenkamp, D, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
6HSV
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BU of 6hsv by Molmil
Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E.
登録日2018-10-01
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
6ASL
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BU of 6asl by Molmil
Crystal Structure of Flavin monooxygenase CmoJ (earlier YtnJ) bound with FMN
分子名称: FLAVIN MONONUCLEOTIDE, LUMIFLAVIN, Putative monooxygenase MoxC
著者Bhandari, D.M, Zhao, B, Li, P, Begley, T.P.
登録日2017-08-24
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Flavin mediated Pummerer type rearrangement in cysteine salvage pathway
To Be Published
6ASK
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BU of 6ask by Molmil
Crystal Structure of apo Flavin monooxygenase CmoJ (earlier YtnJ)
分子名称: Putative monooxygenase MoxC
著者Bhandari, D.M, Zhao, B, Li, P, Begley, T.P.
登録日2017-08-24
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Flavin mediated Pummerer type rearrangement in cysteine salvage pathway
To Be Published
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-03-26
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-03-25
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
6DCJ
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BU of 6dcj by Molmil
LpoA N-terminal domain from Haemophilus influenzae; monoclinic form at 1.35 A resolution
分子名称: CHLORIDE ION, Penicillin-binding protein activator LpoA
著者Vijayalakshmi, J, Saper, M.A.
登録日2018-05-07
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structures of the amino-terminal domain of LpoA from Escherichia coli and Haemophilus influenzae.
Acta Crystallogr.,Sect.F, 75, 2019
6DR3
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BU of 6dr3 by Molmil
Crystal structure of E. coli LpoA amino terminal domain
分子名称: Penicillin-binding protein activator LpoA
著者Kelley, A.C, Saper, M.A.
登録日2018-06-11
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Crystal structures of the amino-terminal domain of LpoA from Escherichia coli and Haemophilus influenzae.
Acta Crystallogr.,Sect.F, 75, 2019
4FYM
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BU of 4fym by Molmil
Crystal structure of Plasmodium falciparum orotate phosphoribosyltransferase
分子名称: Orotate phosphoribosyltransferase, SULFATE ION
著者Rathod, P.K, Kumar, S.
登録日2012-07-05
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Plasmodium falciparum orotate phosphoribosyltransferase with autologous inhibitory protein-protein interactions.
Acta Crystallogr F Struct Biol Commun, 71, 2015
3MH0
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BU of 3mh0 by Molmil
Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-04-07
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MH1
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BU of 3mh1 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-04-07
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MH3
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BU of 3mh3 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-04-07
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MH2
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BU of 3mh2 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-04-07
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MGY
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BU of 3mgy by Molmil
Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-04-07
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
1ZYJ
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BU of 1zyj by Molmil
Human P38 MAP Kinase in Complex with Inhibitor 1a
分子名称: 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Karpusas, M, Michelotti, E.L, Springman, E.B.
登録日2005-06-10
公開日2005-11-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZ2
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BU of 1zz2 by Molmil
Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
分子名称: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
著者Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
登録日2005-06-13
公開日2005-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
3ELN
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BU of 3eln by Molmil
A Putative Fe2+-bound Persulfenate Intermediate in Cysteine Dioxygenase
分子名称: Cysteine dioxygenase type 1, FE (II) ION, S-HYDROPEROXYCYSTEINE
著者Simmons, C.R, Stipanuk, M.H, Karplus, P.A.
登録日2008-09-22
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A putative Fe2+-bound persulfenate intermediate in cysteine dioxygenase.
Biochemistry, 47, 2008
3CKM
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BU of 3ckm by Molmil
LpoA (YraM) C-domain from Haemophilus influenzae, a regulator of PBP1A
分子名称: BETA-MERCAPTOETHANOL, SULFATE ION, YRAM (HI1655)
著者Vijayalakshmi, J, Saper, M.A.
登録日2008-03-16
公開日2008-05-13
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of YraM, a protein essential for growth of Haemophilus influenzae.
Proteins, 73, 2008
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