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8DMD
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BU of 8dmd by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
Descriptor: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A, Coates, L, Kneller, D.W.
Deposit date:2022-07-08
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
5XYW
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BU of 5xyw by Molmil
Crystal structure of drosophila simulans Rhino chromoshadow domain in complex with N-terminal domain
Descriptor: GD21652, Rhino
Authors:Yu, B.W, Huang, Y.
Deposit date:2017-07-10
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
8EUA
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BU of 8eua by Molmil
Structure of SARS-CoV2 PLpro bound to a covalent inhibitor
Descriptor: Papain-like protease nsp3, SULFATE ION, ZINC ION, ...
Authors:Mathews, I.I, Pokhrel, S, Wakatsuki, S.
Deposit date:2022-10-18
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
5XYV
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BU of 5xyv by Molmil
Crystal structure of drosophila melanogaster Rhino chromoshadow domain in complex with Deadlock N-terminal domain
Descriptor: Protein deadlock, RHINO
Authors:Yu, B.W, Huang, Y.
Deposit date:2017-07-10
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
8DL9
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BU of 8dl9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z199538122
Descriptor: 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A.Y, Coates, L, Kneller, D.W.
Deposit date:2022-07-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DLB
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BU of 8dlb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083
Descriptor: 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase
Authors:Kovalevsky, A.Y, Coates, L, Kneller, D.W.
Deposit date:2022-07-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
6E1C
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BU of 6e1c by Molmil
Crystal structure of a MauG-like protein associated with microbial copper homeostasis
Descriptor: CALCIUM ION, Di-heme enzyme, HEME C
Authors:Dassama, L.M.K, Rosenzweig, A.C.
Deposit date:2018-07-09
Release date:2019-07-17
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.617 Å)
Cite:MbnH is a diheme MauG-like protein associated with microbial copper homeostasis.
J.Biol.Chem., 294, 2019
4P1Z
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BU of 4p1z by Molmil
Structure of the MID domain from MIWI
Descriptor: Piwi-like protein 1
Authors:Cora, E, McCarthy, A.A, Pillai, R.S.
Deposit date:2014-02-28
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The MID-PIWI module of Piwi proteins specifies nucleotide- and strand-biases of piRNAs.
Rna, 20, 2014
7EXY
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BU of 7exy by Molmil
T-hairpin structure found in the RNA element involved in the piRNA biogenesis
Descriptor: RNA (5'-R(*UP*UP*GP*GP*UP*UP*UP*GP*AP*UP*UP*CP*CP*AP*AP*G)-3')
Authors:Takase, N, Kawai, G.
Deposit date:2021-05-29
Release date:2022-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:T-hairpin structure found in the RNA element involved in piRNA biogenesis.
Rna, 28, 2022
4B9W
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BU of 4b9w by Molmil
Structure of extended Tudor domain TD3 from mouse TDRD1 in complex with MILI peptide containing dimethylarginine 45.
Descriptor: GLYCEROL, PIWI-LIKE PROTEIN 2, TUDOR DOMAIN-CONTAINING PROTEIN 1
Authors:Mathioudakis, N, Palencia, A, Kadlec, J, Round, A, Tripsianes, K, Sattler, M, Pillai, R.S, Cusack, S.
Deposit date:2012-09-08
Release date:2012-10-17
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The multiple Tudor domain-containing protein TDRD1 is a molecular scaffold for mouse Piwi proteins and piRNA biogenesis factors.
Rna, 18, 2012
4B9X
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BU of 4b9x by Molmil
Structure of extended Tudor domain TD3 from mouse TDRD1
Descriptor: TUDOR DOMAIN-CONTAINING PROTEIN 1
Authors:Mathioudakis, N, Palencia, A, Kadlec, J, Round, A, Tripsianes, K, Sattler, M, Pillai, R.S, Cusack, S.
Deposit date:2012-09-08
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Multiple Tudor Domain-Containing Protein Tdrd1 is a Molecular Scaffold for Mouse Piwi Proteins and Pirna Biogenesis Factors.
RNA, 18, 2012
7KY1
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BU of 7ky1 by Molmil
Molecular basis for control of antibiotic production by a bacterial hormones
Descriptor: TetR family transcriptional regulator
Authors:Bhukya, H, Fulop, V.
Deposit date:2020-12-06
Release date:2021-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5000335 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
6AKK
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BU of 6akk by Molmil
Crystal structure of the second Coiled-coil domain of SIKE1
Descriptor: GLYCEROL, Suppressor of IKBKE 1
Authors:Zhou, L, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKL
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BU of 6akl by Molmil
Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain
Descriptor: Striatin-3, Suppressor of IKBKE 1
Authors:Zhou, L, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKM
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BU of 6akm by Molmil
Crystal structure of SLMAP-SIKE1 complex
Descriptor: GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1
Authors:Ma, J, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
4YBG
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BU of 4ybg by Molmil
Crystal structure of the MAEL domain of Drosophila melanogaster Maelstrom
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Protein maelstrom, ...
Authors:Matsumoto, N, Ishitani, R, Nishimasu, H, Nureki, O.
Deposit date:2015-02-18
Release date:2015-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Crystal Structure and Activity of the Endoribonuclease Domain of the piRNA Pathway Factor Maelstrom
Cell Rep, 11, 2015
4GEN
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BU of 4gen by Molmil
Crystal structure of Zucchini (monomer)
Descriptor: CHLORIDE ION, Mitochondrial cardiolipin hydrolase
Authors:Nishimasu, H, Fukuhara, S, Ishitani, R, Nureki, O.
Deposit date:2012-08-02
Release date:2012-10-17
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of Zucchini endoribonuclease in piRNA biogenesis
Nature, 491, 2012
4GEM
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BU of 4gem by Molmil
Crystal structure of Zucchini (K171A)
Descriptor: 1,2-ETHANEDIOL, Mitochondrial cardiolipin hydrolase, ZINC ION
Authors:Nishimasu, H, Fukuhara, S, Ishitani, R, Nureki, O.
Deposit date:2012-08-02
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure and function of Zucchini endoribonuclease in piRNA biogenesis
Nature, 491, 2012
1ETT
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BU of 1ett by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1ETR
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BU of 1etr by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
4GEL
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BU of 4gel by Molmil
Crystal structure of Zucchini
Descriptor: 1,2-ETHANEDIOL, Mitochondrial cardiolipin hydrolase, PHOSPHATE ION, ...
Authors:Nishimasu, H, Fukuhara, S, Ishitani, R, Nureki, O.
Deposit date:2012-08-02
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Structure and function of Zucchini endoribonuclease in piRNA biogenesis
Nature, 491, 2012
6SRN
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BU of 6srn by Molmil
Structural basis for control of antibiotic production by bacterial hormones
Descriptor: 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid, GLYCEROL, TetR family transcriptional regulator
Authors:Fulop, V.
Deposit date:2019-09-05
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
5CEG
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BU of 5ceg by Molmil
X-ray structure of toxin/anti-toxin complex from Mesorhizobium opportunistum
Descriptor: Addiction module antidote protein, CopG/Arc/MetJ family, GLYCEROL, ...
Authors:Aakre, C.D, Herrou, J, Crosson, S, Laub, M.T.
Deposit date:2015-07-06
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Evolving New Protein-Protein Interaction Specificity through Promiscuous Intermediates.
Cell, 163, 2015
3TH5
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BU of 3th5 by Molmil
Crystal structure of wild-type RAC1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2011-08-18
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012

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