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4D0F
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BU of 4d0f by Molmil
Human Notch1 EGF domains 11-13 mutant T466A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1
著者Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A.
登録日2014-04-25
公開日2014-05-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CNP
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BU of 4cnp by Molmil
Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative
分子名称: (2S)-2-HYDROXY-3-EPIQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-23
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
4D7T
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BU of 4d7t by Molmil
Structure of the SthK Carboxy-Terminal Region in complex with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, STHK_CNBD_CAMP
著者Kesters, D, Brams, M, Nys, M, Wijckmans, E, Spurny, R, Voets, T, Tytgat, J, Ulens, C.
登録日2014-11-27
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.582 Å)
主引用文献Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels.
Plos One, 10, 2015
4CSV
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BU of 4csv by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR
著者Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D.
登録日2014-03-10
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
4CV3
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BU of 4cv3 by Molmil
Crystal structure of E. coli FabI in complex with NADH and PT166
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
著者Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C.
登録日2014-03-22
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
4CKY
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BU of 4cky by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative
分子名称: 2,2-dimethyl-3-dehydroquinic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4D41
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BU of 4d41 by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, ...
著者Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C.
登録日2014-10-26
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
Biochemistry, 54, 2015
4CLL
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BU of 4cll by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with bicarbonate
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BICARBONATE ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CLU
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BU of 4clu by Molmil
Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CN9
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BU of 4cn9 by Molmil
structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus with zinc occupied MIDAS motif
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PROXIMAL THREAD MATRIX PROTEIN 1, ...
著者Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
登録日2014-01-21
公開日2014-03-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
4CQB
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BU of 4cqb by Molmil
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
登録日2014-02-13
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
4CXI
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BU of 4cxi by Molmil
BTB domain of KEAP1
分子名称: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G.
登録日2014-04-07
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4D0W
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BU of 4d0w by Molmil
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
著者Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D5S
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BU of 4d5s by Molmil
Structure of A49 from Vaccinia Virus Western Reserve
分子名称: A49R
著者Neidel, S, Maluquer de Motes, C, Mansur, D.S, Strnadova, P, Smith, G.L, Graham, S.C.
登録日2014-11-07
公開日2015-01-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Vaccinia Virus Protein A49 is an Unexpected Member of the B-Cell Lymphoma (Bcl)-2 Protein Family
J.Biol.Chem., 290, 2015
4CKZ
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BU of 4ckz by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant
分子名称: 3-DEHYDROQUINATE DEHYDRATASE
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4CMQ
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BU of 4cmq by Molmil
Crystal structure of Mn-bound S.pyogenes Cas9
分子名称: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MANGANESE (II) ION, SULFATE ION
著者Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A.
登録日2014-01-17
公開日2014-02-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structures of Cas9 Endonucleases Reveal RNA- Mediated Conformational Activation
Science, 343, 2014
4CYE
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BU of 4cye by Molmil
Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A
分子名称: FOCAL ADHESION KINASE 1
著者Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D.
登録日2014-04-10
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4D03
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BU of 4d03 by Molmil
Structure of the Cys65Asp mutant of phenylacetone monooxygenase: oxidised state
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W.
登録日2014-04-24
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase.
J.Am.Chem.Soc., 136, 2014
4CN8
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Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus
分子名称: 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION
著者Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
登録日2014-01-21
公開日2014-03-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
4D7S
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BU of 4d7s by Molmil
Structure of the SthK Carboxy-Terminal Region in complex with cGMP
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, STHK_CNBD_CGMP
著者Kesters, D, Brams, M, Nys, M, Wijckmans, E, Spurny, R, Voets, T, Tytgat, J, Ulens, C.
登録日2014-11-27
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels.
Plos One, 10, 2015
4CLY
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BU of 4cly by Molmil
Crystal structure of human soluble Adenylyl Cyclase soaked with biselenite
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BISELENITE ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CP8
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BU of 4cp8 by Molmil
Structure of the amidase domain of allophanate hydrolase from Pseudomonas sp strain ADP
分子名称: ALLOPHANATE HYDROLASE, MALONATE ION
著者Balotra, S, Newman, J, French, N, French, L, Peat, T.S, Scott, C.
登録日2014-02-03
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray Structure of the Amidase Domain of Atzf, the Allophanate Hydrolase from the Cyanuric Acid-Mineralizing Multienzyme Complex.
Appl.Environ.Microbiol., 81, 2015
4CQD
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BU of 4cqd by Molmil
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MALONATE ION, ...
著者Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
登録日2014-02-13
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
4CMF
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BU of 4cmf by Molmil
The (R)-selective transaminase from Nectria haematococca with inhibitor bound
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, AMINOTRANSFERASE, ...
著者Sayer, C, Isupov, M, Martinez-Torres, R.J, Richter, N, Hailes, H.C, Ward, J, Littlechild, J.
登録日2014-01-16
公開日2014-03-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Substrate Specificity, Enantioselectivity and Structure of the (R)-Selective Amine:Pyruvate Transaminase from Nectria Haematococca.
FEBS J., 281, 2014
4CV0
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Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell)
分子名称: 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ...
著者Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C.
登録日2014-03-22
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014

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