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6NVE
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
分子名称: 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-05
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
To Be Published
6VSG
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BU of 6vsg by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17)
分子名称: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VU5
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BU of 6vu5 by Molmil
Structure of G-alpha-q bound to its chaperone Ric-8A
分子名称: Guanine nucleotide-binding protein G(q) subunit alpha, Resistance to inhibitors of cholinesterase-8A (Ric-8A)
著者Seven, A.B, Hilger, D.
登録日2020-02-14
公開日2020-03-18
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of G alpha Proteins in Complex with Their Chaperone Reveal Quality Control Mechanisms.
Cell Rep, 30, 2020
5LLV
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BU of 5llv by Molmil
Crystal structure of DACM F87M/L110M Transthyretin mutant
分子名称: ACETATE ION, CHLORIDE ION, Transthyretin
著者Sala, B.M, Ghadami, S.A, Bemporad, F, Chiti, F, Ricagno, S.
登録日2016-07-28
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献FRET studies of various conformational states adopted by transthyretin.
Cell. Mol. Life Sci., 74, 2017
7CLV
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BU of 7clv by Molmil
Solution structure of mitochondrial Tim23 channel in complex with a signaling peptide
分子名称: COX4 isoform 1, TIM23 isoform 1
著者Zhou, S, Ruan, M.S, Li, Y.Y, Yang, J, Richter, C, Schwalbe, H, Shen, B, Wang, J.F.
登録日2020-07-22
公開日2020-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide.
Cell Res., 31, 2021
6NXE
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BU of 6nxe by Molmil
Cryo-EM Reconstruction of Protease-Activateable Adeno-Associated Virus 9 (AAV9-L001)
分子名称: Capsid protein VP1
著者Bennett, A.B, Agbandje-Mckenna, M.
登録日2019-02-08
公開日2019-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Protease-Activatable Adeno-Associated Virus Vector for Gene Delivery to Damaged Heart Tissue.
Mol. Ther., 27, 2019
1MCK
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BU of 1mck by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
分子名称: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-GLU-L-HIS-D-PRO-NH2
著者Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
登録日1993-02-25
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
7LZE
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BU of 7lze by Molmil
Cryo-EM Structure of disulfide stabilized HMPV F v4-B
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, Fusion glycoprotein F0
著者Gorman, J, Kwong, P.D.
登録日2021-03-09
公開日2021-08-25
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Interprotomer disulfide-stabilized variants of the human metapneumovirus fusion glycoprotein induce high titer-neutralizing responses.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VMY
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BU of 6vmy by Molmil
Structure of the B. subtilis cobalamin riboswitch
分子名称: Adenosylcobalamin, B. subtilis cobalamin riboswitch, COBALT HEXAMMINE(III), ...
著者Chan, C.W, Mondragon, A.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding.
Nucleic Acids Res., 48, 2020
8BWC
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BU of 8bwc by Molmil
E. coli BAM complex (BamABCDE) wild-type
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Machin, J.M, Radford, S.E, Ranson, N.A.
登録日2022-12-06
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
5ZO1
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BU of 5zo1 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain (Ig1-Ig3), 2.2A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 4, GLYCEROL
著者Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
登録日2018-04-12
公開日2019-01-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1MCQ
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BU of 1mcq by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
分子名称: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-HIS-D-PRO-NH2
著者Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
登録日1993-02-25
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
7LDW
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BU of 7ldw by Molmil
Zoogloea ramigera biosynthetic thiolase Q183Y/Y218E/delH221/S227K/G248T mutant
分子名称: AMMONIUM ION, Acetyl-CoA acetyltransferase, COENZYME A, ...
著者Marshall, A.C, Bruning, J.B.
登録日2021-01-14
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
7LD2
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BU of 7ld2 by Molmil
Zoogloea ramigera biosynthetic thiolase Q183Y mutant, RbCl soak
分子名称: Acetyl-CoA acetyltransferase, CHLORIDE ION, COENZYME A, ...
著者Marshall, A.C, Bruning, J.B.
登録日2021-01-12
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
4QPZ
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BU of 4qpz by Molmil
Crystal structure of the formolase FLS_v2 in space group P 21
分子名称: Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
著者Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D.
登録日2014-06-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
5EIP
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BU of 5eip by Molmil
apo-structure of YTH domain of SpMmi1
分子名称: YTH domain-containing protein mmi1
著者Wu, B.X, Xu, J.H, Su, S.C, Ma, J.B.
登録日2015-10-30
公開日2016-01-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insights into the specific recognition of DSR by the YTH domain containing protein Mmi1
Biochem. Biophys. Res. Commun., 491, 2017
1AEJ
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BU of 1aej by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (1-VINYLIMIDAZOLE)
分子名称: 1-VINYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
登録日1997-02-25
公開日1997-09-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
7LBZ
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BU of 7lbz by Molmil
Zoogloea ramigera biosynthetic thiolase Y218E mutant
分子名称: Acetyl-CoA acetyltransferase, COENZYME A, SULFATE ION
著者Marshall, A.C, Bruning, J.B.
登録日2021-01-09
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
5UUN
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BU of 5uun by Molmil
Crystal structure of SARO_2595 from Novosphingobium aromaticivorans
分子名称: ACETATE ION, GLUTATHIONE, Glutathione S-transferase-like protein
著者Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J.
登録日2017-02-17
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
J. Biol. Chem., 293, 2018
5LKK
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BU of 5lkk by Molmil
Protruding domain of GII.17 norovirus Kawasaki308 in complex with 3-fucosyllactose (3FL)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Major capsid protein, ...
著者Singh, B.K, Morozov, V, Hansman, G.S.
登録日2016-07-22
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural basis of HMOs interaction with the emerging GII.17 norovirus Kawasaki308
To be published
8BV1
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BU of 8bv1 by Molmil
Peptide inhibitor P4 in complex with ASF1 histone chaperone
分子名称: GLYCEROL, Histone chaperone ASF1A, P4 peptide inhibitor of histone chaperone ASF1
著者Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
登録日2022-12-01
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.834 Å)
主引用文献Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
5K5W
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BU of 5k5w by Molmil
Crystal structure of limiting CO2-inducible protein LCIB
分子名称: ZINC ION, limiting CO2-inducible protein LCIB
著者Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
登録日2016-05-24
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.591 Å)
主引用文献Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5MDQ
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Crystal structure of outer membrane expressed Chitoporin VhChip from Vibrio harveyi
分子名称: Chitoporin, SODIUM ION
著者Zahn, M, van den Berg, B.
登録日2016-11-13
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for chitin acquisition by marine Vibrio species.
Nat Commun, 9, 2018
460D
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BU of 460d by Molmil
A "HYDRAT-ION SPINE" IN A B-DNA MINOR GROOVE
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, RUBIDIUM ION
著者Tereshko, V, Minasov, G, Egli, M.
登録日1999-03-12
公開日1999-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A "Hydrat-Ion Spine" in a B-DNA minor groove
J.Am.Chem.Soc., 121, 1999
1AEH
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BU of 1aeh by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-4-METHYLTHIAZOLE)
分子名称: 2-AMINO-4-METHYLTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
登録日1997-02-24
公開日1997-09-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002

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