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5W9F
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BU of 5w9f by Molmil
Solution structure of the de novo mini protein gHEEE_02
分子名称: De novo mini protein gHEEE_02
著者Pulavarti, S.V.S.R.K, Shaw, E.A, Bahl, C.D, Garry, B.W, Baker, D, Szyperski, T.
登録日2017-06-23
公開日2018-07-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides.
Protein Sci., 27, 2018
7NWK
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BU of 7nwk by Molmil
Crystal structure of CDK9-Cyclin T1 bound by compound 6
分子名称: Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
著者Collie, G.W, Ferguson, A.D.
登録日2021-03-16
公開日2021-10-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
6E06
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BU of 6e06 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6E05
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BU of 6e05 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
2QTP
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BU of 2qtp by Molmil
Crystal structure of a duf1185 family protein (spo0826) from silicibacter pomeroyi dss-3 at 2.10 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-08-02
公開日2007-08-21
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
2RA9
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BU of 2ra9 by Molmil
Crystal structure of a duf1285 family protein (sbal_2486) from shewanella baltica os155 at 1.40 A resolution
分子名称: 1,2-ETHANEDIOL, SODIUM ION, Uncharacterized protein DUF1285
著者Joint Center for Structural Genomics (JCSG)
登録日2007-09-14
公開日2007-10-16
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of the first representatives of Pfam family PF06938 (DUF1285) reveal a new fold with repeated structural motifs and possible involvement in signal transduction.
Acta Crystallogr.,Sect.F, 66, 2010
8SBM
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BU of 8sbm by Molmil
Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS
分子名称: 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ...
著者Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A.
登録日2023-04-03
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid.
Biochemistry, 62, 2023
8U2V
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BU of 8u2v by Molmil
Crystal Structure of methylglyoxal synthase from Borrelia burgdorferi
分子名称: BROMIDE ION, Methylglyoxal synthase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of methylglyoxal synthase from Borrelia burgdorferi
To be published
5JG9
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BU of 5jg9 by Molmil
Crystal structure of the de novo mini protein gEHEE_06
分子名称: CHLORIDE ION, GLYCEROL, de novo design, ...
著者Rupert, P.B, Johnsen, W.A.
登録日2016-04-19
公開日2016-09-28
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5JNU
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BU of 5jnu by Molmil
Crystal structure of mouse Low-Molecular Weight Protein Tyrosine Phosphatase type A (LMPTP-A) complexed with phosphate
分子名称: Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION
著者Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
登録日2016-04-30
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
5JNS
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BU of 5jns by Molmil
Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A complexed with phosphate
分子名称: DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION
著者Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
登録日2016-04-30
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
5JNW
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BU of 5jnw by Molmil
Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with vanadate and uncompetitive inhibitor
分子名称: 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile, Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION
著者Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
登録日2016-04-30
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
5J74
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BU of 5j74 by Molmil
Fluorogen activating protein AM2.2 in complex with TO1-2p
分子名称: 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium, PHOSPHATE ION, scFv AM2.2
著者Stanfield, R.L, Wilson, I.A, Wu, Y.
登録日2016-04-05
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
8CZD
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BU of 8czd by Molmil
Cryo-EM structure of BCL10 R58Q filament
分子名称: B-cell lymphoma/leukemia 10
著者David, L, Wu, H.
登録日2022-05-24
公開日2022-06-22
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022
8CZO
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BU of 8czo by Molmil
Cryo-EM structure of BCL10 CARD - MALT1 DD filament
分子名称: B-cell lymphoma/leukemia 10, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者David, L, Wu, H.
登録日2022-05-25
公開日2022-06-22
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022
5J75
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BU of 5j75 by Molmil
Fluorogen Activating Protein AM2.2 in complex with ML342
分子名称: N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2
著者Stanfield, R.L, Wilson, I.A, Wu, Y.
登録日2016-04-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
5JNV
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BU of 5jnv by Molmil
Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase
著者Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
登録日2016-04-30
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
8CZJ
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BU of 8czj by Molmil
A bacteria Zrt/Irt-like protein in the apo state
分子名称: Putative membrane protein, SULFATE ION, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
著者Zhang, Y, Hu, J.
登録日2022-05-24
公開日2023-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter.
Nat Commun, 14, 2023
8ENI
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BU of 8eni by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
分子名称: 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA
著者Wilce, M.C.J, Cini, D.A.
登録日2022-09-30
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
9B22
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BU of 9b22 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose and AMP bound)
分子名称: ADENOSINE MONOPHOSPHATE, ADP-ribose pyrophosphatase, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose and AMP bound)
To be published
9B1Z
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BU of 9b1z by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (Apo)
分子名称: ADP-ribose pyrophosphatase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (Apo)
To be published
9BKY
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BU of 9bky by Molmil
Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound)
分子名称: GLYCEROL, SULFATE ION, XYPPX repeat family protein
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-04-29
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound)
To be published
9B21
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BU of 9b21 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
分子名称: ADP-ribose pyrophosphatase, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
To be published
9B20
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BU of 9b20 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (AMP bound)
分子名称: ADENOSINE MONOPHOSPHATE, ADP-ribose pyrophosphatase, MAGNESIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (AMP bound)
To be published
9BKW
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BU of 9bkw by Molmil
Crystal structure of a C2 domain from Trichomonas vaginalis
分子名称: XYPPX repeat family protein
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-04-29
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a C2 domain from Trichomonas vaginalis
To be published

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