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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
Descriptor: (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
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
2VT2
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BU of 2vt2 by Molmil
Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX
Authors:Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D.T, von Wachenfeldt, C.
Deposit date:2008-05-08
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex.
Mol. Microbiol., 69, 2008
2VT3
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BU of 2vt3 by Molmil
Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX
Authors:Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D, von Wachenfeldt, C.
Deposit date:2008-05-08
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex.
Mol. Microbiol., 69, 2008
4KT5
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BU of 4kt5 by Molmil
Structure of GrlR-GrlA complex
Descriptor: GrlA, GrlR, TETRAETHYLENE GLYCOL
Authors:Padavannil, A, Jobichen, C, Sivaraman, J.
Deposit date:2013-05-20
Release date:2013-10-09
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of GrlR-GrlA complex that prevents GrlA activation of virulence genes
Nat Commun, 4, 2013
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)
Descriptor: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one, Glutaminase kidney isoform, mitochondrial
Authors:Shankar, S, Jobichen, C, Sivaraman, J.
Deposit date:2022-09-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:A novel allosteric site employs a conserved inhibition mechanism in human kidney-type glutaminase.
Febs J., 290, 2023
1FG9
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BU of 1fg9 by Molmil
3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER
Descriptor: INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
Authors: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.
Deposit date:2000-07-28
Release date:2000-08-11
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
5E38
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BU of 5e38 by Molmil
Structural basis of mapping the spontaneous mutations with 5-flourouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis
Descriptor: Uracil phosphoribosyltransferase
Authors:Ghode, P, Jobichen, C, Ramachandran, S, Bifani, P, Sivaraman, J.
Deposit date:2015-10-02
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of mapping the spontaneous mutations with 5-flurouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis
Biochem.Biophys.Res.Commun., 467, 2015
6GHO
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BU of 6gho by Molmil
Crystal structure of Spx in complex with YjbH
Descriptor: CHLORIDE ION, Regulatory protein Spx, UPF0413 protein GK0824
Authors:Awad, W, Logan, D.T, von Wachenfeldt, C.
Deposit date:2018-05-08
Release date:2019-04-24
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx.
Structure, 27, 2019
5BN5
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BU of 5bn5 by Molmil
Structural basis for a unique ATP synthase core complex from Nanoarcheaum equitans
Descriptor: NEQ263, SULFATE ION, V-type ATP synthase alpha chain
Authors:Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
Deposit date:2015-05-25
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
6GHB
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BU of 6ghb by Molmil
Crystal structure of Spx in complex with YjbH (oxidized)
Descriptor: MAGNESIUM ION, Regulatory protein Spx, UPF0413 protein GK0824
Authors:Awad, W, Logan, D.T, von Wachenfeldt, C.
Deposit date:2018-05-06
Release date:2019-04-24
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx.
Structure, 27, 2019
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
Descriptor: 1,4-DIETHYLENE DIOXIDE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
Deposit date:2015-05-25
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: MAGNESIUM ION, NEQ263, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
Deposit date:2015-05-25
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
6S9L
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BU of 6s9l by Molmil
Designed Armadillo Repeat protein Lock1 bound to (KR)4KLSF target
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, KR4KLSF Lock1, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-LEU-SER-PHE
Authors:Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
Deposit date:2019-07-15
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKLSF
Authors:Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
Deposit date:2019-07-15
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, designed Armadillo repeat protein with internal Lock1 fused to target peptide KRKRKLKFKR
Authors:Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
Deposit date:2019-07-15
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.17 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, internal Lock2 fused to target peptide KRKAKITWKR
Authors:Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
Deposit date:2019-07-15
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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
Descriptor: ORF904, ZINC ION
Authors:Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
Deposit date:2003-12-01
Release date:2004-01-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
6S9M
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BU of 6s9m by Molmil
Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ...
Authors:Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
Deposit date:2019-07-15
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
6ST6
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BU of 6st6 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant
Descriptor: ISOPROPYL ALCOHOL, Trp operon repressor
Authors:Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
Deposit date:2019-09-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
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
Descriptor: MANGANESE (II) ION, ZINC ION, hypothetical protein ORF904
Authors:Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
Deposit date:2003-12-01
Release date:2004-01-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
5BO5
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BU of 5bo5 by Molmil
Structure of a unique ATP synthase subunit NeqB from Nanoarcheaum equitans
Descriptor: MAGNESIUM ION, NEQ263, SULFATE ION
Authors:Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
Deposit date:2015-05-27
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
6ST7
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BU of 6st7 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp
Descriptor: ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor
Authors:Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
Deposit date:2019-09-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
1RNI
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BU of 1rni by Molmil
Bifunctional DNA primase/polymerase domain of ORF904 from the archaeal plasmid pRN1
Descriptor: ORF904, ZINC ION
Authors:Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P.
Deposit date:2003-12-01
Release date:2004-01-27
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a bifunctional DNA primase-polymerase
Nat.Struct.Mol.Biol., 11, 2004
8HBC
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BU of 8hbc by Molmil
Crystal structure of the CysR-CTLD3 fragment of human DEC205
Descriptor: Lymphocyte antigen 75
Authors:Kong, D, Yu, B, Hu, Z, Cheng, C, Cao, L, He, Y.
Deposit date:2022-10-28
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Interaction of human dendritic cell receptor DEC205/CD205 with keratins.
J.Biol.Chem., 300, 2024
2BKM
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BU of 2bkm by Molmil
Crystal structure of the truncated hemoglobin from Geobacillus stearothermophilus
Descriptor: ACETATE ION, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ilari, A, Kjelgaard, P, von Wachenfeldt, C, Boffi, A, Chiancone, E.
Deposit date:2006-02-08
Release date:2006-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Ligand Binding Properties of the Truncated Hemoglobin from Geobacillus Stearothermophilus
Arch.Biochem.Biophys., 457, 2007

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