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PDB: 2104 件

5LZI
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Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146
分子名称: (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Heggelund, J.E, Mackenzie, A, Krengel, U.
登録日2016-09-29
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
6HQS
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BU of 6hqs by Molmil
Crystal structure of GcoA F169S bound to syringol
分子名称: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
4Q66
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Structure of Exomer bound to Arf1.
分子名称: ADP-ribosylation factor 1, Chs5p, MAGNESIUM ION, ...
著者Paczkowski, J.E, Fromme, J.C.
登録日2014-04-21
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.354 Å)
主引用文献Structural basis for membrane binding and remodeling by the exomer secretory vesicle cargo adaptor.
Dev.Cell, 30, 2014
2JYQ
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BU of 2jyq by Molmil
NMR structure of the apo v-Src SH2 domain
分子名称: Tyrosine-protein kinase transforming protein Src
著者Taylor, J.D, Ababou, A, Williams, M.A, Ladbury, J.E.
登録日2007-12-17
公開日2008-06-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure, dynamics, and binding thermodynamics of the v-Src SH2 domain: Implications for drug design
Proteins, 73, 2008
6HQO
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BU of 6hqo by Molmil
Crystal structure of GcoA F169S bound to guaiacol
分子名称: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LRV
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BU of 5lrv by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin
分子名称: GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ...
著者Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
登録日2016-08-22
公開日2016-10-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
4QPF
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BU of 4qpf by Molmil
New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
著者Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G.
登録日2014-06-23
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
4QX0
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BU of 4qx0 by Molmil
Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the cctbx.xfel software suite
分子名称: Pesticidal crystal protein cry3Aa
著者Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
登録日2014-07-17
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
1G4U
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BU of 1g4u by Molmil
CRYSTAL STRUCTURE OF THE SALMONELLA TYROSINE PHOSPHATASE AND GTPASE ACTIVATING PROTEIN SPTP BOUND TO RAC1
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Stebbins, C.E, Galan, J.E.
登録日2000-10-28
公開日2001-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modulation of host signaling by a bacterial mimic: structure of the Salmonella effector SptP bound to Rac1.
Mol.Cell, 6, 2000
1GNH
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BU of 1gnh by Molmil
HUMAN C-REACTIVE PROTEIN
分子名称: C-REACTIVE PROTEIN, CALCIUM ION
著者Shrive, A.K, Cheetham, G.M.T, Holden, D, Myles, D.A, Turnell, W.G, Volanakis, J.E, Pepys, M.B, Bloomer, A.C, Greenhough, T.J.
登録日1996-03-01
公開日1997-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three dimensional structure of human C-reactive protein.
Nat.Struct.Biol., 3, 1996
2FRP
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BU of 2frp by Molmil
Bacteriophage HK97 Expansion Intermediate IV
分子名称: Major capsid protein
著者Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
登録日2006-01-19
公開日2006-02-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (7.5 Å)
主引用文献Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
2FT1
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BU of 2ft1 by Molmil
Bacteriophage HK97 Head II
分子名称: major capsid protein
著者Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
登録日2006-01-23
公開日2006-02-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
1DBF
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BU of 1dbf by Molmil
CHORISMATE MUTASE FROM BACILLUS SUBTILIS AT 1.30 ANGSTROM
分子名称: GLYCEROL, PROTEIN (CHORISMATE MUTASE), SULFATE ION
著者Gilliland, G.L, Ladner, J.E.
登録日1999-11-02
公開日2000-06-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The 1.30 A resolution structure of the Bacillus subtilis chorismate mutase catalytic homotrimer.
Acta Crystallogr.,Sect.D, 56, 2000
1DOF
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BU of 1dof by Molmil
THE CRYSTAL STRUCTURE OF ADENYLOSUCCINATE LYASE FROM PYROBACULUM AEROPHILUM: INSIGHTS INTO THERMAL STABILITY AND HUMAN PATHOLOGY
分子名称: ADENYLOSUCCINATE LYASE
著者Toth, E.A, Yeates, T.O, Goedken, E, Dixon, J.E, Marqusee, S.
登録日1999-12-20
公開日2001-01-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of adenylosuccinate lyase from Pyrobaculum aerophilum reveals an intracellular protein with three disulfide bonds.
J.Mol.Biol., 301, 2000
1DRY
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BU of 1dry by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE
分子名称: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
4QX1
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BU of 4qx1 by Molmil
Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite
分子名称: Pesticidal crystal protein cry3Aa
著者Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
登録日2014-07-17
公開日2014-08-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
1DRT
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BU of 1drt by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID
分子名称: 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
2JIZ
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BU of 2jiz by Molmil
The Structure of F1-ATPase inhibited by resveratrol.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, ...
著者Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2007-07-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Proc.Natl.Acad.Sci.USA, 104, 2007
2GRH
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BU of 2grh by Molmil
M37V mutant of Scapharca dimeric hemoglobin, with CO bound
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E.
登録日2006-04-24
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1DLE
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BU of 1dle by Molmil
FACTOR B SERINE PROTEASE DOMAIN
分子名称: COMPLEMENT FACTOR B
著者Jing, H, Xu, Y, Carson, M, Moore, D, Macon, K.J, Volanakis, J.E, Narayana, S.V.
登録日1999-12-09
公開日2000-12-13
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New structural motifs on the chymotrypsin fold and their potential roles in complement factor B.
EMBO J., 19, 2000
5N53
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BU of 5n53 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with N-(3-chloro-4-methoxyphenyl) acetamide
分子名称: D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-02-12
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
2GRF
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BU of 2grf by Molmil
Crystal structure of Scapharca inaequivalvis HBI, M37V mutant in the absence of ligand
分子名称: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E.
登録日2006-04-24
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1G7G
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HUMAN PTP1B CATALYTIC DOMAIN COMPLEXES WITH PNU179326
分子名称: 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者Bleasdale, J.E, Ogg, D, Larsen, S.D.
登録日2000-11-10
公開日2001-06-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action.
Biochemistry, 40, 2001
2GRZ
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5ns Photoproduct of the M37V mutant of Scapharca HbI
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E.
登録日2006-04-25
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1GBA
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ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA AND GLY 216 REPLACED BY ALA
分子名称: ALPHA-LYTIC PROTEASE, SULFATE ION
著者Mace, J.E, Agard, D.A.
登録日1995-09-06
公開日1996-01-29
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity.
J.Mol.Biol., 254, 1995

224004

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