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PDB: 906 件

5K68
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BU of 5k68 by Molmil
Designed Artificial Cupredoxins
分子名称: Streptavidin, [CuII(biot-bu-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
6NEG
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BU of 6neg by Molmil
N191D, F205S mutant of scoulerine-9-O methyltransferase from Thalictrum flavum complexed with S-ADENOSYL-L-HOMOCYSTEINE
分子名称: (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Valentic, T.R, Smolke, C.D, Payne, J.T.
登録日2018-12-17
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
6NEH
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BU of 6neh by Molmil
N191D, F205S mutant of scoulerine 9-O-methyltransferase from Thalictrum flavum complexed with (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and S-ADENOSYL-L-HOMOCYSTEINE
分子名称: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Valentic, T.R, Smolke, C.D, Payne, J.T.
登録日2018-12-17
公開日2019-12-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
5L3Y
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BU of 5l3y by Molmil
Designed Artificial Cupredoxins
分子名称: Streptavidin, [CuII(biot-et-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
6OI9
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BU of 6oi9 by Molmil
Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
分子名称: 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase
著者Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
登録日2019-04-09
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
6OI8
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BU of 6oi8 by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine
分子名称: 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase
著者Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
登録日2019-04-09
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
6N0N
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BU of 6n0n by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ574
分子名称: 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ...
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-07
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献Crystal structure of Tdp1 catalytic domain
To Be Published
5LER
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BU of 5ler by Molmil
Structure of the bacterial sex F pilus (13.2 Angstrom rise)
分子名称: Pilin, [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate
著者Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G.
登録日2016-06-30
公開日2016-11-02
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
5LEY
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BU of 5ley by Molmil
Human 20S proteasome complex with Oprozomib at 1.9 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LEG
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BU of 5leg by Molmil
Structure of the bacterial sex F pilus (pED208)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Pilin
著者Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G.
登録日2016-06-29
公開日2016-09-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
5LF7
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BU of 5lf7 by Molmil
Human 20S proteasome complex with Ixazomib at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6NEJ
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BU of 6nej by Molmil
scoulerine 9-O-methyltransferase from Thalictrum flavum complexed (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and with S-ADENOSYL-L-HOMOCYSTEINE
分子名称: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Valentic, T.R, Smolke, C.D, Payne, J.T.
登録日2018-12-17
公開日2019-12-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
5LF4
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BU of 5lf4 by Molmil
Human 20S proteasome complex with Delanzomib at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF6
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BU of 5lf6 by Molmil
Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom
分子名称: CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6OJH
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BU of 6ojh by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
分子名称: 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ...
著者Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
登録日2019-04-11
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
To Be Published
5K8C
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BU of 5k8c by Molmil
X-ray structure of KdnB, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, from Shewanella oneidensis
分子名称: 1,2-ETHANEDIOL, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, CHLORIDE ION, ...
著者Holden, H.M, Thoden, J.B, Zachman-Brockmeyer, T.R.
登録日2016-05-28
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of KdnB and KdnA from Shewanella oneidensis: Key Enzymes in the Formation of 8-Amino-3,8-Dideoxy-d-Manno-Octulosonic Acid.
Biochemistry, 55, 2016
6P4Y
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BU of 6p4y by Molmil
Crystal Structure of anti-IL-7Ralpha 4A10 Fab
分子名称: 4A10 Fab heavy chain, 4A10 Fab light chain
著者Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
登録日2019-05-29
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020
5LEX
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BU of 5lex by Molmil
Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom
分子名称: MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6P67
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BU of 6p67 by Molmil
Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha 2B8 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, Anti-IL-7R 2B8 Fab heavy chain, ...
著者Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
登録日2019-06-03
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020
6P7J
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BU of 6p7j by Molmil
Crystal structure of Latency Associated Peptide unbound to TGF-beta1
分子名称: Transforming growth factor beta-1 proprotein
著者Stachowski, T.R, Snell, M.E, Snell, E.H.
登録日2019-06-05
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Structural insights into conformational switching in latency-associated peptide between transforming growth factor beta-1 bound and unbound states
Iucrj, 7, 2020
6P50
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BU of 6p50 by Molmil
Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha Fab 4A10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-7 receptor subunit alpha, anti-IL-7R 4A10 Fab heavy chain, ...
著者Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
登録日2019-05-29
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020
5LE5
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BU of 5le5 by Molmil
Native human 20S proteasome at 1.8 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-29
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF1
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BU of 5lf1 by Molmil
Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LF3
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BU of 5lf3 by Molmil
Human 20S proteasome complex with Bortezomib at 2.1 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LEZ
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BU of 5lez by Molmil
Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom
分子名称: ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016

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