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5T2Q
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BU of 5t2q by Molmil
Unliganded Human HVEM at 1.9A in P 1 21 1
分子名称: Tumor necrosis factor receptor superfamily member 14
著者Nemcovicova, I, Zajonc, D.M.
登録日2016-08-24
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unliganded Human HVEM at 1.9A in P 1 21 1
To Be Published
4Z1L
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BU of 4z1l by Molmil
Yeast 20S proteasome in complex with belactosin C derivative 3
分子名称: (2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-03-27
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Minimal beta-Lactone Fragment for Selective beta 5c or beta 5i Proteasome Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4G7U
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BU of 4g7u by Molmil
Rat Heme Oxygenase-1 in complex with Heme and CO with 16 hr Illumination: Laser off
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-20
公開日2012-10-31
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
3BG6
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BU of 3bg6 by Molmil
Pyranose 2-oxidase from Trametes multicolor, E542K mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase
著者Tan, T.C, Divne, C.
登録日2007-11-26
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Improving thermostability and catalytic activity of pyranose 2-oxidase from Trametes multicolor by rational and semi-rational design
Febs J., 276, 2009
2XNS
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BU of 2xns by Molmil
Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14
分子名称: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ...
著者Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B.
登録日2010-08-05
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Computational Design of the Sequence and Structure of a Protein-Binding Peptide.
J.Am.Chem.Soc., 133, 2011
4GD4
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BU of 4gd4 by Molmil
Crystal Structure of JMJD2A Complexed with Inhibitor
分子名称: 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ...
著者King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC)
登録日2012-07-31
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal Structure of JMJD2A Complexed with Inhibitor
TO BE PUBLISHED
5SY6
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BU of 5sy6 by Molmil
Atomic resolution structure of human DJ-1, DTT bound
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1
著者Wilson, M.A, Lin, J.
登録日2016-08-10
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
5T2R
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BU of 5t2r by Molmil
Unliganded Human HVEM at 2.1A in P 21 21 21
分子名称: Tumor necrosis factor receptor superfamily member 14
著者Nemcovicova, I, Zajonc, D.M.
登録日2016-08-24
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unliganded Human HVEM at 2.1A in P 21 21 21
To Be Published
5T4O
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BU of 5t4o by Molmil
Autoinhibited E. coli ATP synthase state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G.
登録日2016-08-29
公開日2016-12-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states.
Elife, 5, 2016
4Z9O
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BU of 4z9o by Molmil
Crystal Structure of human GGT1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Terzyan, S.S, Hanigan, M.H.
登録日2015-04-10
公開日2015-06-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
5AEU
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BU of 5aeu by Molmil
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400
分子名称: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
著者Dhindwal, S, Gomez-Gil, L, Sylvestre, M, Eltis, L.D, Bolin, J.T, Kumar, P.
登録日2015-01-10
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Basis of the Enhanced Pollutant-Degrading Capabilities of an Engineered Biphenyl Dioxygenase
J.Bacteriol., 198, 2016
2XND
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BU of 2xnd by Molmil
Crystal structure of bovine F1-c8 sub-complex of ATP Synthase
分子名称: ATP SYNTHASE LIPID-BINDING PROTEIN, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT ALPHA, ...
著者Watt, I.N, Montgomery, M.G, Runswick, M.J, Leslie, A.G.W, Walker, J.E.
登録日2010-08-02
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Bioenergetic Cost of Making an Adenosine Triphosphate Molecule in Animal Mitochondria.
Proc.Natl.Acad.Sci.USA, 107, 2010
5ARI
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BU of 5ari by Molmil
Bovine mitochondrial ATP synthase state 2b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-24
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
7DDI
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BU of 7ddi by Molmil
Crystal structures of Na+,K+-ATPase in complex with digitoxin
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C.
登録日2020-10-29
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state.
Proc.Natl.Acad.Sci.USA, 118, 2021
2ZPU
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BU of 2zpu by Molmil
Crystal Structure of Modified Serine Racemase from S.pombe.
分子名称: MAGNESIUM ION, N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE, Uncharacterized protein C320.14
著者Goto, M.
登録日2008-07-29
公開日2009-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serine racemase with catalytically active lysinoalanyl residue.
J.Biochem., 145, 2009
5E0S
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BU of 5e0s by Molmil
crystal structure of the active form of the proteolytic complex clpP1 and clpP2
分子名称: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
著者LI, M, Wlodawer, A, Maurizi, M.
登録日2015-09-29
公開日2016-02-17
最終更新日2016-04-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Functional Properties of the Active Form of the Proteolytic Complex, ClpP1P2, from Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5TBE
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BU of 5tbe by Molmil
Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2
分子名称: Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
著者Buehrmann, M, Rauh, D.
登録日2016-09-12
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ARE
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BU of 5are by Molmil
Bovine mitochondrial ATP synthase state 1b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-24
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
4ZTH
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BU of 4zth by Molmil
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Roy, S.M, Watterson, D.M.
登録日2015-05-14
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
5B4O
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BU of 5b4o by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14
分子名称: 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ...
著者Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N.
登録日2016-04-07
公開日2016-04-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
3AON
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BU of 3aon by Molmil
Crystal structure of the central axis (NtpD-NtpG) in the catalytic portion of Enterococcus hirae V-type sodium ATPase
分子名称: NITRATE ION, V-type sodium ATPase subunit D, V-type sodium ATPase subunit G
著者Saijo, S, Arai, S, Hossain, K.M.M, Yamato, I, Kakinuma, Y, Ishizuka-Katsura, Y, Terada, T, Shirouzu, M, Yokoyama, S, Iwata, S, Murata, T.
登録日2010-10-04
公開日2011-10-05
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the central axis DF complex of the prokaryotic V-ATPase
Proc.Natl.Acad.Sci.USA, 108, 2011
5VG1
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BU of 5vg1 by Molmil
Neutron crystallographic structure of a Jonesia denitrificans lytic polysaccharide monooxygenase
分子名称: COPPER (II) ION, Chitinase, PEROXIDE ION
著者Bacik, J.-P, Unkefer, C.J, Chen, J.C.H.
登録日2017-04-10
公開日2017-05-24
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation.
Biochemistry, 56, 2017
1A6B
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BU of 1a6b by Molmil
NMR STRUCTURE OF THE COMPLEX BETWEEN THE ZINC FINGER PROTEIN NCP10 OF MOLONEY MURINE LEUKEMIA VIRUS AND A SEQUENCE OF THE PSI-PACKAGING DOMAIN OF HIV-1, 20 STRUCTURES
分子名称: DNA (5'-D(*AP*CP*GP*CP*C)-3'), ZINC FINGER PROTEIN NCP10, ZINC ION
著者Schueler, W, Dong, C.-Z, Wecker, K, Roques, B.P.
登録日1998-02-23
公開日1999-08-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the complex between the zinc finger protein NCp10 of Moloney murine leukemia virus and the single-stranded pentanucleotide d(ACGCC): comparison with HIV-NCp7 complexes.
Biochemistry, 38, 1999
1AB7
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BU of 1ab7 by Molmil
NMR 15N RELAXATION AND STRUCTURAL STUDIES REVEAL CONFORMATIONAL EXCHANGE IN BARSTAR C40/82A, 30 STRUCTURES
分子名称: BARSTAR
著者Wong, K.B, Fersht, A.R, Freund, S.M.V.
登録日1997-02-04
公開日1997-09-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR 15N relaxation and structural studies reveal slow conformational exchange in barstar C40/82A.
J.Mol.Biol., 268, 1997
3DQA
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BU of 3dqa by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1250 Atmospheres Number 4: Structure 14 in a Series of 26 High Pressure Structures
分子名称: Green fluorescent protein
著者Barstow, B, Kim, C.U.
登録日2008-07-09
公開日2008-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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