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6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
分子名称: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EZA
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BU of 6eza by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
5MF2
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BU of 5mf2 by Molmil
Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4
分子名称: CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E.
登録日2016-11-17
公開日2017-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
1FKM
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BU of 1fkm by Molmil
CRYSTAL STRUCTURE OF THE YPT/RAB-GAP DOMAIN OF GYP1P
分子名称: PROTEIN (GYP1P)
著者Rak, A, Fedorov, R, Alexandrov, K, Albert, S, Goody, R.S, Gallwitz, D, Scheidig, A.J.
登録日2000-08-09
公開日2001-02-09
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the GAP domain of Gyp1p: first insights into interaction with Ypt/Rab proteins.
EMBO J., 19, 2000
2NA2
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BU of 2na2 by Molmil
DROSHA QUAD MUTANT DOUBLE-STRANDED RNA BINDING COMPETENT
分子名称: Ribonuclease 3
著者Showalter, S.A, Sahu, D, Kranick, J.C.
登録日2015-12-17
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Towards understanding Drosha dsRBDs role in Microprocessing
To be Published
6EZB
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BU of 6ezb by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain Q305K mutant
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Bou-Nader, C, Bregeon, D, Pecqueur, L, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
2NQG
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BU of 2nqg by Molmil
Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor.
分子名称: 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit
著者Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T.
登録日2006-10-31
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
5MJQ
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BU of 5mjq by Molmil
Single-shot pink beam serial crystallography: Phycocyanin (One chip)
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I.
登録日2016-12-01
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pink-beam serial crystallography.
Nat Commun, 8, 2017
5TY4
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BU of 5ty4 by Molmil
MicroED structure of a complex between monomeric TGF-b and its receptor, TbRII, at 2.9 A resolution
分子名称: TGF-beta receptor type-2, mmTGF-b2-7m
著者Weiss, S.C, de la Cruz, M.J, Hattne, J, Shi, D, Reyes, F.E, Callero, G, Gonen, T.
登録日2016-11-18
公開日2017-04-26
最終更新日2023-10-04
実験手法ELECTRON CRYSTALLOGRAPHY (2.9 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
1OWW
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BU of 1oww by Molmil
Solution structure of the first type III module of human fibronectin determined by 1H, 15N NMR spectroscopy
分子名称: Fibronectin first type III module
著者Gao, M, Craig, D, Lequin, O, Campbell, I.D, Vogel, V, Schulten, K.
登録日2003-03-31
公開日2003-10-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates
Proc.Natl.Acad.Sci.USA, 100, 2003
5U2N
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BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
分子名称: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5MU2
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BU of 5mu2 by Molmil
ACC1 Fab fragment in complex with CII583-591 (CG10)
分子名称: ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, synthetic peptide containing the CII583-591 epitope of collagen type II
著者Dobritzsch, D, Holmdahl, R, Ge, C.
登録日2017-01-12
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
3CPO
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BU of 3cpo by Molmil
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
分子名称: 2-fluorophenol, Delta(5)-3-ketosteroid isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.
登録日2008-03-31
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
2NCA
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BU of 2nca by Molmil
Structural Model for the N-terminal Domain of Human Cdc37
分子名称: Hsp90 co-chaperone Cdc37
著者Zhang, Z, Keramisanou, D, Gelis, I.
登録日2016-03-23
公開日2016-05-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular Mechanism of Protein Kinase Recognition and Sorting by the Hsp90 Kinome-Specific Cochaperone Cdc37.
Mol.Cell, 62, 2016
5MVQ
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BU of 5mvq by Molmil
Crystal structure of an unmodified, self-complementary dodecamer.
分子名称: DNA, MAGNESIUM ION
著者Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T.
登録日2017-01-17
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
5MVU
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BU of 5mvu by Molmil
Crystal structure of an A-DNA dodecamer containing 5-formylcytosine in 3 consecutive CpG steps
分子名称: DNA
著者Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T.
登録日2017-01-17
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
1K57
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BU of 1k57 by Molmil
OXA 10 class D beta-lactamase at pH 6.0
分子名称: BETA LACTAMASE OXA-10, SULFATE ION
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
2MPW
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BU of 2mpw by Molmil
Solution structure of the LysM region of the E. coli Intimin periplasmic domain
分子名称: Intimin
著者Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B.
登録日2014-06-05
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan.
Mol.Microbiol., 95, 2015
6EZC
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BU of 6ezc by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
8FE5
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BU of 8fe5 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine B
分子名称: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-05
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
1PE7
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BU of 1pe7 by Molmil
Thermolysin with bicyclic inhibitor
分子名称: 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE, 3-METHYLBUTAN-1-AMINE, CALCIUM ION, ...
著者Juers, D, Yusuff, N, Bartlett, P.A, Matthews, B.W.
登録日2003-05-21
公開日2004-06-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conformational Constraint and Structural Complementarity in Thermolysin Inhibitors: Structures of Enzyme Complexes and Conclusions
To be Published
5MU0
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BU of 5mu0 by Molmil
ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03)
分子名称: IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment
著者Dobritzsch, D, Holmdahl, R, Ge, C.
登録日2017-01-11
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
1K56
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BU of 1k56 by Molmil
OXA 10 class D beta-lactamase at pH 6.5
分子名称: OXA10 beta-lactamase, SULFATE ION
著者Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
登録日2001-10-10
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
5MVP
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BU of 5mvp by Molmil
Crystal structure of an A-DNA dodecamer containing the GGGCCC motif
分子名称: DNA, POTASSIUM ION
著者Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T.
登録日2017-01-17
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
5MVK
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BU of 5mvk by Molmil
Crystal structure of an unmodified A-DNA dodecamer containing 3 consecutive CpG steps
分子名称: DNA
著者Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T.
登録日2017-01-16
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017

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