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6S0U
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BU of 6s0u by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
7M95
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Bovine sigma-2 receptor bound to Z1241145220
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7MFI
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Bovine sigma-2 receptor bound to cholesterol
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-04-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M94
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Bovine sigma-2 receptor bound to Roluperidone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M96
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Bovine sigma-2 receptor bound to Z4857158944
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M93
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BU of 7m93 by Molmil
Bovine sigma-2 receptor bound to PB28
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
2WRA
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BU of 2wra by Molmil
BclA lectin from Burkholderia cenocepacia complexed with aMan1(aMan1- 6)-3Man trisaccharide
分子名称: CALCIUM ION, LECTIN, SULFATE ION, ...
著者Lameignere, E, Shiao, T.C, Roy, R, Wimmerova, M, Dubreuil, F, Varrot, A, Imberty, A.
登録日2009-09-01
公開日2009-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin.
Glycobiology, 20, 2010
2VCQ
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BU of 2vcq by Molmil
Complex structure of prostaglandin D2 synthase at 1.95A.
分子名称: 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE
著者Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K.
登録日2007-09-26
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
7U97
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BU of 7u97 by Molmil
SAAV pH 4.0 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U95
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BU of 7u95 by Molmil
SAAV pH 6.0 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U96
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BU of 7u96 by Molmil
SAAV pH 5.5 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.14 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U94
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BU of 7u94 by Molmil
SAAV pH 7.4 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
2WR9
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BU of 2wr9 by Molmil
CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA LECTIN (BCLA) COMPLEXED WITH AMAN1-3MAN DISACCHARIDE
分子名称: CALCIUM ION, LECTIN, SULFATE ION, ...
著者Lameignere, E, Shiao, T.C, Roy, R, Wimmerova, M, Dubreuil, F, Varrot, A, Imberty, A.
登録日2009-09-01
公開日2009-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin.
Glycobiology, 20, 2010
2VCX
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BU of 2vcx by Molmil
Complex structure of prostaglandin D2 synthase at 2.1A.
分子名称: GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION, ...
著者Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K.
登録日2007-09-27
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
2VCW
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BU of 2vcw by Molmil
Complex structure of prostaglandin D2 synthase at 1.95A.
分子名称: 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE
著者Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K.
登録日2007-09-27
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
2VD1
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BU of 2vd1 by Molmil
Complex structure of prostaglandin D2 synthase at 2.25A.
分子名称: 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ...
著者Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K.
登録日2007-09-28
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
2VCZ
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BU of 2vcz by Molmil
Complex structure of prostaglandin D2 synthase at 1.95A.
分子名称: 3-(4-nitrophenyl)-1H-pyrazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE
著者Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K.
登録日2007-09-28
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
2VD0
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BU of 2vd0 by Molmil
Complex structure of prostaglandin D2 synthase at 2.2A.
分子名称: 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ...
著者Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K.
登録日2007-09-28
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
4PUB
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BU of 4pub by Molmil
Crystal structure of Fab DX-2930
分子名称: CHLORIDE ION, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN
著者Abendroth, J, Edwards, T.E, Nixon, A, Ladner, R.
登録日2014-03-12
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
6PK2
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BU of 6pk2 by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide, Propionyl-CoA carboxylase subunit beta
著者Reddy, M.C.M, Nian, Z, Michele, T.C.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-06-28
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Elucidating the Inhibition and specificity of binding of herbicidal aryloxyphenoxypropionates derivatives to Mycobacterium tuberculosis carboxyltransferase domain of acetyl-coenzyme A(AccD6).
To Be Published
6P7U
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BU of 6p7u by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6
著者Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-06-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
To Be Published
3QUM
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BU of 3qum by Molmil
Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody
分子名称: Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ...
著者Stura, E.A, Muller, B.H, Michel, S, Ducancel, F.
登録日2011-02-24
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of human prostate-specific antigen in a sandwich antibody complex.
J.Mol.Biol., 414, 2011
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
分子名称: BA7125 fab, BA7208 fab, Spike glycoprotein
著者Liu, Z, Liu, S, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023

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