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2ZDU
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BU of 2zdu by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
分子名称: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10
著者Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A.
登録日2007-11-27
公開日2008-09-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
3TGC
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BU of 3tgc by Molmil
Crystal structure of L130R mutant of Nitrophorin 4 from Rhodnius prolixus complexed with nitrite at pH 7.4
分子名称: NITRITE ION, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
著者Ogata, H, He, C, Knipp, M.
登録日2011-08-17
公開日2012-08-22
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insertion of an H-Bonding Residue into the Distal Pocket of the Ferriheme Protein Nitrophorin 4: Effect on Nitrite[BOND]Iron Coordination and Nitrite Disproportionation
Chem.Biodivers., 9, 2012
7YEA
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BU of 7yea by Molmil
Human O-GlcNAc transferase Dimer
分子名称: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Gao, H, Lu, P, Liu, Y.
登録日2022-07-05
公開日2023-07-12
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex.
Nat Commun, 14, 2023
2YDS
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BU of 2yds by Molmil
CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, O-GLCNACASE NAGJ, ...
著者Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
登録日2011-03-24
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
2YDR
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BU of 2ydr by Molmil
CpOGA D298N in complex with p53-derived O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ...
著者Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
登録日2011-03-24
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
4XDO
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BU of 4xdo by Molmil
Crystal structure of human KDM4C catalytic domain with OGA
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2014-12-19
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
3MCJ
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BU of 3mcj by Molmil
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5
分子名称: 1,2-ETHANEDIOL, Molybdenum cofactor biosynthesis MOG
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-03-29
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
1EEK
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BU of 1eek by Molmil
SOLUTION STRUCTURE OF A NONPOLAR, NON HYDROGEN BONDED BASE PAIR SURROGATE IN DNA.
分子名称: 5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*AP*CP*(MBZ)P*AP*TP*GP*CP*G)-3'
著者Kool, E.T, Krugh, T.R, Guckian, K.M.
登録日2000-02-01
公開日2000-02-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of a Nonpolar, Non-Hydrogen-Bonded Base Pair Surrogate in DNA
J.Am.Chem.Soc., 122, 2000
8BK1
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BU of 8bk1 by Molmil
Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L
分子名称: Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, ...
著者Gilio, A.K, Grogan, G.J.
登録日2022-11-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
8BJ5
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BU of 8bj5 by Molmil
Imine Reductase IR007 from Amycolatopsis azurea
分子名称: Imine Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gilio, A.K, Steflik, J, Grogan, G.
登録日2022-11-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
1EEQ
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BU of 1eeq by Molmil
M4L/Y(27D)D/T94H Mutant of LEN
分子名称: KAPPA-4 IMMUNOGLOBULIN (LIGHT CHAIN)
著者Pokkuluri, P.R, Raffen, R, Dieckman, L, Boogaard, C, Stevens, F.J, Schiffer, M.
登録日2000-02-01
公開日2001-02-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Increasing protein stability by polar surface residues: domain-wide consequences of interactions within a loop.
Biophys.J., 82, 2002
2YUE
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BU of 2yue by Molmil
Solution structure of the NEUZ (NHR) domain in Neuralized from Drosophila melanogaster
分子名称: Protein neuralized
著者He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Tarada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-06
公開日2007-10-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and functional characterization of the NHR1 domain of the Drosophila neuralized E3 ligase in the notch signaling pathway.
J.Mol.Biol., 393, 2009
5LB2
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BU of 5lb2 by Molmil
Apo-structure of humanised RadA-mutant humRadA2
分子名称: DNA repair and recombination protein RadA
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-15
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
8Y6P
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BU of 8y6p by Molmil
Structure of the auto-inhibited Dark monomer
分子名称: Apaf-1 related killer DARK
著者Tian, L, Li, Y, Shi, Y.
登録日2024-02-03
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Dark and Dronc activation in Drosophila melanogaster.
Proc.Natl.Acad.Sci.USA, 121, 2024
8Y6Q
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Structure of the Dark/Dronc complex
分子名称: Apaf-1 related killer DARK, Caspase Dronc
著者Tian, L, Li, Y, Shi, Y.
登録日2024-02-03
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Dark and Dronc activation in Drosophila melanogaster.
Proc.Natl.Acad.Sci.USA, 121, 2024
7OSN
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BU of 7osn by Molmil
IRED361 from Micromonospora sp. in complex with NADP+
分子名称: 6-phosphogluconate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gilio, A.K, Harawa, V, Turner, N, Grogan, G.J.
登録日2021-06-09
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Synthesis of Stereoenriched Piperidines via Chemo-Enzymatic Dearomatization of Activated Pyridines.
J.Am.Chem.Soc., 144, 2022
4ATQ
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BU of 4atq by Molmil
GABA-transaminase A1R958 in complex with external aldimine PLP-GABA adduct
分子名称: 4-AMINOBUTYRATE TRANSAMINASE, GAMMA-AMINO-BUTANOIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Bruce, H, Tuan, A.N, Mangas Sanchez, J, Hart, S, Turkenburg, J.P, Grogan, G.
登録日2012-05-09
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of a Gamma-Aminobutyrate (Gaba) Transaminase from the S-Triazine-Degrading Organism Arthrobacter Aurescens Tc1 in Complex with Plp and with its External Aldimine Plp- Gaba Adduct.
Acta Crystallogr.,Sect.F, 68, 2012
4ATP
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BU of 4atp by Molmil
Structure of GABA-transaminase A1R958 from Arthrobacter aurescens in complex with PLP
分子名称: 4-AMINOBUTYRATE TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE
著者Bruce, H, Tuan, A.N, Mangas Sanchez, J, Hart, S, Turkenburg, J.P, Grogan, G.
登録日2012-05-09
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of a Gamma-Aminobutyrate (Gaba) Transaminase from the S-Triazine-Degrading Organism Arthrobacter Aurescens Tc1 in Complex with Plp and with its External Aldimine Plp- Gaba Adduct.
Acta Crystallogr.,Sect.F, 68, 2012
4BFC
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BU of 4bfc by Molmil
Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii
分子名称: 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION
著者Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W.
登録日2013-03-18
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii
To be Published
4BCZ
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BU of 4bcz by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form.
分子名称: SUPEROXIDE DISMUTASE [CU-ZN]
著者Saraboji, K, Awad, W, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
登録日2012-10-03
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
4AZY
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Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
分子名称: (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ...
著者Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
4BCY
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BU of 4bcy by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, mutation H43F
分子名称: CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ...
著者Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
登録日2012-10-03
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
4B00
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BU of 4b00 by Molmil
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)
分子名称: 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1
著者Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
8BWY
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BU of 8bwy by Molmil
In situ outer dynein arm from Chlamydomonas reinhardtii in a pre-power stroke state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calmodulin, ...
著者Zimmermann, N.E.L, Noga, A, Obbineni, J.M, Ishikawa, T.
登録日2022-12-07
公開日2023-05-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (38 Å)
主引用文献ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Embo J., 42, 2023
8BX8
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BU of 8bx8 by Molmil
In situ outer dynein arm from Chlamydomonas reinhardtii in the post-power stroke state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Zimmermann, N.E.L, Noga, A, Obbineni, J.M, Ishikawa, T.
登録日2022-12-08
公開日2023-05-10
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (30.299999 Å)
主引用文献ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Embo J., 42, 2023

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