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7TJ0
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BU of 7tj0 by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
5E26
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BU of 5e26 by Molmil
Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者DONG, A, LOPPNAU, P, RAVICHANDRAN, M, CHENG, C, TEMPEL, W, SEITOVA, A, HUTCHINSON, A, HONG, B.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2015-09-30
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
to be published
1FG9
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BU of 1fg9 by Molmil
3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER
分子名称: INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
著者Thiel, D.J, le Du, M.-H, Walter, R.L, D'Arcy, A, Chene, C, Fountoulakis, M, Garotta, G, Winkler, F.K, Ealick, S.E.
登録日2000-07-28
公開日2000-08-11
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
5BN5
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BU of 5bn5 by Molmil
Structural basis for a unique ATP synthase core complex from Nanoarcheaum equitans
分子名称: NEQ263, SULFATE ION, V-type ATP synthase alpha chain
著者Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
登録日2015-05-25
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
5BN3
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BU of 5bn3 by Molmil
Structure of a unique ATP synthase NeqA-NeqB in complex with ADP from Nanoarcheaum equitans
分子名称: 1,4-DIETHYLENE DIOXIDE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
登録日2015-05-25
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
5BN4
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BU of 5bn4 by Molmil
Structure of a unique ATP synthase NeqA-NeqB in complex with ANP from Nanoarcheaum equitans
分子名称: MAGNESIUM ION, NEQ263, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
登録日2015-05-25
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
5BO5
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BU of 5bo5 by Molmil
Structure of a unique ATP synthase subunit NeqB from Nanoarcheaum equitans
分子名称: MAGNESIUM ION, NEQ263, SULFATE ION
著者Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
登録日2015-05-27
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.808 Å)
主引用文献Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
8GWR
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BU of 8gwr by Molmil
Near full length Kidney type Glutaminase in complex with 2,2-Dimethyl-2,3-Dihydrobenzo[a] Phenanthridin-4(1H)-one (DDP)
分子名称: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one, Glutaminase kidney isoform, mitochondrial
著者Shankar, S, Jobichen, C, Sivaraman, J.
登録日2022-09-17
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献A novel allosteric site employs a conserved inhibition mechanism in human kidney-type glutaminase.
Febs J., 290, 2023
3WXX
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BU of 3wxx by Molmil
Crystal Structure of a T3SS complex from Aeromonas hydrophila
分子名称: AcrH, AopB, MAGNESIUM ION
著者Nguyen, V.S, Jobichen, C, Sivaraman, J, Henry, Y.K.M.
登録日2014-08-12
公開日2015-10-14
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of AcrH-AopB Chaperone-Translocator Complex Reveals a Role for Membrane Hairpins in Type III Secretion System Translocon Assembly
Structure, 23, 2015
5OQV
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BU of 5oqv by Molmil
Near-atomic resolution fibril structure of complete amyloid-beta(1-42) by cryo-EM
分子名称: Amyloid beta A4 protein
著者Gremer, L, Schoelzel, D, Schenk, C, Reinartz, E, Labahn, J, Ravelli, R, Tusche, M, Lopez-Iglesias, C, Hoyer, W, Heise, H, Willbold, D, Schroeder, G.F.
登録日2017-08-14
公開日2017-09-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Fibril structure of amyloid-beta (1-42) by cryo-electron microscopy.
Science, 358, 2017
1RO2
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BU of 1ro2 by Molmil
Bifunctional DNA primase/polymerase domain of ORF904 from the archaeal plasmid pRN1- Triple mutant F50M/L107M/L110M manganese soak
分子名称: MANGANESE (II) ION, ZINC ION, hypothetical protein ORF904
著者Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
登録日2003-12-01
公開日2004-01-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
1RNI
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BU of 1rni by Molmil
Bifunctional DNA primase/polymerase domain of ORF904 from the archaeal plasmid pRN1
分子名称: ORF904, ZINC ION
著者Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
登録日2003-12-01
公開日2004-01-27
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
1RO0
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BU of 1ro0 by Molmil
Bifunctional DNA primase/polymerase domain of ORF904 from the archaeal plasmid pRN1- Triple mutant F50M/L107M/L110M SeMet remote
分子名称: ORF904, ZINC ION
著者Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
登録日2003-12-01
公開日2004-01-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
4KT5
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BU of 4kt5 by Molmil
Structure of GrlR-GrlA complex
分子名称: GrlA, GrlR, TETRAETHYLENE GLYCOL
著者Padavannil, A, Jobichen, C, Sivaraman, J.
登録日2013-05-20
公開日2013-10-09
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of GrlR-GrlA complex that prevents GrlA activation of virulence genes
Nat Commun, 4, 2013
6GHO
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BU of 6gho by Molmil
Crystal structure of Spx in complex with YjbH
分子名称: CHLORIDE ION, Regulatory protein Spx, UPF0413 protein GK0824
著者Awad, W, Logan, D.T, von Wachenfeldt, C.
登録日2018-05-08
公開日2019-04-24
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx.
Structure, 27, 2019
6ST7
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BU of 6st7 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp
分子名称: ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
8HBC
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BU of 8hbc by Molmil
Crystal structure of the CysR-CTLD3 fragment of human DEC205
分子名称: Lymphocyte antigen 75
著者Kong, D, Yu, B, Hu, Z, Cheng, C, Cao, L, He, Y.
登録日2022-10-28
公開日2023-11-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Interaction of human dendritic cell receptor DEC205/CD205 with keratins.
J.Biol.Chem., 300, 2024
6GHB
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BU of 6ghb by Molmil
Crystal structure of Spx in complex with YjbH (oxidized)
分子名称: MAGNESIUM ION, Regulatory protein Spx, UPF0413 protein GK0824
著者Awad, W, Logan, D.T, von Wachenfeldt, C.
登録日2018-05-06
公開日2019-04-24
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx.
Structure, 27, 2019
6ST6
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BU of 6st6 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant
分子名称: ISOPROPYL ALCOHOL, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
6S9L
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BU of 6s9l by Molmil
Designed Armadillo Repeat protein Lock1 bound to (KR)4KLSF target
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, KR4KLSF Lock1, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-LEU-SER-PHE
著者Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
登録日2019-07-15
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
6S9N
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BU of 6s9n by Molmil
Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKLSF
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKLSF
著者Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
登録日2019-07-15
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
6S9O
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BU of 6s9o by Molmil
Designed Armadillo Repeat protein internal Lock1 fused to target peptide KRKRKLKFKR
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, designed Armadillo repeat protein with internal Lock1 fused to target peptide KRKRKLKFKR
著者Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
登録日2019-07-15
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
6S9P
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BU of 6s9p by Molmil
Designed Armadillo Repeat protein internal Lock2 fused to target peptide KRKAKITWKR
分子名称: 1,2-ETHANEDIOL, internal Lock2 fused to target peptide KRKAKITWKR
著者Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
登録日2019-07-15
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
6S9M
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BU of 6s9m by Molmil
Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ...
著者Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
登録日2019-07-15
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
4NQF
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BU of 4nqf by Molmil
Crystal structure of HEPN domain protein
分子名称: Nucleotidyltransferase
著者Padavannil, A, Jobichen, C, Sivaraman, J.
登録日2013-11-25
公開日2014-03-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dimerization of VirD2 Binding Protein Is Essential for Agrobacterium Induced Tumor Formation in Plants
Plos Pathog., 10, 2014

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