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1IA8
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BU of 1ia8 by Molmil
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor: CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
8IAZ
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BU of 8iaz by Molmil
Cryo-EM structure of the ISFba1 TnpB-reRNA-dsDNA complex
Descriptor: DNA (5'-D(P*AP*CP*AP*TP*GP*GP*AP*CP*CP*AP*TP*CP*AP*GP*CP*TP*CP*CP*TP*AP*AP*TP*GP*G)-3'), DNA (5'-D(P*CP*CP*AP*TP*TP*AP*GP*GP*AP*GP*CP*TP*GP*AP*TP*G)-3'), RNA (207-MER), ...
Authors:Yin, M, Zhou, F, Zhu, Y, Huang, Z.
Deposit date:2023-02-09
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Discovery and structural mechanism of DNA endonucleases guided by RAGATH-18-derived RNAs.
Cell Res., 34, 2024
5FLK
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BU of 5flk by Molmil
Structure of haloalkane dehalogenase variant DhaA101
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DHAA101, DI(HYDROXYETHYL)ETHER
Authors:Chaloupkova, R, Waterman, J, Damborsky, J.
Deposit date:2015-10-26
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Evolutionary Analysis is a Powerful Complement to Energy Calculations Allowing Entropy-Driven Stabilization
To be Published
2LEY
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BU of 2ley by Molmil
Solution structure of (R7G)-Crp4
Descriptor: Alpha-defensin 4
Authors:Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Figueredo, S.M, Qu, X, Craik, D.J, Ouellette, A.J.
Deposit date:2011-06-26
Release date:2012-05-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance.
Amino Acids, 43, 2012
2MFS
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BU of 2mfs by Molmil
Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1
Descriptor: Ep-AMP1
Authors:Rosengren, K, Goransson, U, Gunasekera, S, Aboye, T.L.
Deposit date:2013-10-22
Release date:2014-11-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A cactus-derived toxin-like cystine knot Peptide with selective antimicrobial activity.
Chembiochem, 16, 2015
2MXM
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BU of 2mxm by Molmil
NMR solution structure of TRTX-Tp1a from the tarantula Thrixopelma pruriens
Descriptor: entity
Authors:Rosengren, K.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], a New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma pruriens.
Mol.Pharmacol., 88, 2015
2K1V
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BU of 2k1v by Molmil
R3/I5 relaxin chimera
Descriptor: Insulin-like peptide INSL5, Relaxin-3
Authors:Rosengren, K, Haugaard-Jonsson, L.M.
Deposit date:2008-03-17
Release date:2008-04-08
Last modified:2019-12-25
Method:SOLUTION NMR
Cite:Structure of the R3/I5 Chimeric Relaxin Peptide, a Selective GPCR135 and GPCR142 Agonist.
J.Biol.Chem., 283, 2008
2KNM
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BU of 2knm by Molmil
Solution structure of the cyclotide cycloviolacin O2
Descriptor: Cycloviolacin-O2
Authors:Rosengren, K.
Deposit date:2009-08-27
Release date:2010-03-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The conserved glu in the cyclotide cycloviolacin O2 has a key structural role.
Chembiochem, 10, 2009
2KNN
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BU of 2knn by Molmil
Solution structure of the cyclotide cycloviolacin O2 with Glu6 methylated (cyO2Me)
Descriptor: Cycloviolacin-O2
Authors:Rosengren, K.
Deposit date:2009-08-27
Release date:2010-03-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The conserved glu in the cyclotide cycloviolacin O2 has a key structural role.
Chembiochem, 10, 2009
2LR9
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BU of 2lr9 by Molmil
High-resolution solution NMR structure of the rho-conotoxin TIA.
Descriptor: Rho-conotoxin TIA
Authors:Rosengren, K, Lewis, R.J.
Deposit date:2012-03-27
Release date:2012-05-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conopeptide rho-TIA defines a new allosteric site on the extracellular surface of the alpha 1B-adrenoceptor.
J.Biol.Chem., 288, 2013
2LEW
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BU of 2lew by Molmil
Structural Plasticity of Paneth cell alpha-Defensins: Characterization of Salt-Bridge Deficient Analogues of Mouse Cryptdin-4
Descriptor: Alpha-defensin 4
Authors:Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Craik, D.J.
Deposit date:2011-06-24
Release date:2012-05-16
Last modified:2013-06-19
Method:SOLUTION NMR
Cite:The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance.
Amino Acids, 43, 2012
8D8R
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BU of 8d8r by Molmil
SARS-CoV-2 Spike RBD in complex with DMAb 2196
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ...
Authors:Du, J, Cui, J, Pallesen, J.
Deposit date:2022-06-08
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
8D8Q
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BU of 8d8q by Molmil
SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ...
Authors:Du, J, Cui, J, Pallesen, J.
Deposit date:2022-06-08
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
5WTI
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BU of 5wti by Molmil
Crystal structure of the CRISPR-associated protein in complex with crRNA and DNA
Descriptor: CRISPR-associated protein, DNA (28-MER), DNA (5'-D(P*GP*TP*GP*TP*GP*GP*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Wu, D, Guan, X, Zhu, Y, Huang, Z.
Deposit date:2016-12-13
Release date:2017-11-01
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:Structural basis of stringent PAM recognition by CRISPR-C2c1 in complex with sgRNA
Cell Res., 27, 2017
4UXZ
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BU of 4uxz by Molmil
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
Authors:Li, D, Howe, N, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
7EDO
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BU of 7edo by Molmil
First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats
Descriptor: Beta-2-microglobulin, CYS-ASN-VAL-THR-LEU-ASN-TYR-PRO, MHC class I antigen
Authors:Wang, P.Y, Yue, C, Lu, D, Liu, K.F, Liu, S, Yao, S.J, Chai, Y, Qi, J.X, Lou, Y.L, Sun, Z.Y, Gao, G.F, Liu, W.J.
Deposit date:2021-03-16
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Peptide Presentations of Marsupial MHC Class I Visualize Immune Features of Lower Mammals Paralleled with Bats.
J Immunol., 207, 2021
8R74
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BU of 8r74 by Molmil
Galectin-1 in complex with thiogalactoside derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1
Authors:Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U.
Deposit date:2023-11-23
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
7QA1
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BU of 7qa1 by Molmil
The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser
Descriptor: Toxin-10 pesticidal protein (Tpp) 49Aa1
Authors:Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R, Best, H.L.
Deposit date:2021-11-15
Release date:2023-05-17
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
4MBJ
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BU of 4mbj by Molmil
Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor
Descriptor: 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C.
Deposit date:2013-08-19
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 23, 2013
7DHT
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BU of 7dht by Molmil
Solution structure of ATG8f of Arabidopsis thaliana
Descriptor: Autophagy-related protein 8f
Authors:Lee, K.M, Sun, S.L, Wong, K.B.
Deposit date:2020-11-17
Release date:2021-12-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanistic insights into an atypical interaction between ATG8 and SH3P2 in Arabidopsis thaliana.
Autophagy, 18, 2022
6IUF
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BU of 6iuf by Molmil
Crystal structure of Anti-CRISPR protein AcrVA5
Descriptor: ACETYL COENZYME *A, GLYCEROL, protein-a
Authors:Dong, L, Guan, X, Zhu, Y, Huang, Z.
Deposit date:2018-11-28
Release date:2019-04-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:An anti-CRISPR protein disables type V Cas12a by acetylation.
Nat. Struct. Mol. Biol., 26, 2019
6IV6
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BU of 6iv6 by Molmil
Cryo-EM structure of AcrVA5-acetylated MbCas12a in complex with crRNA
Descriptor: RNA (59-MER), nuclease
Authors:Dong, L, Li, N, Guan, X, Zhu, Y, Gao, N, Huang, Z.
Deposit date:2018-12-02
Release date:2019-04-10
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:An anti-CRISPR protein disables type V Cas12a by acetylation.
Nat. Struct. Mol. Biol., 26, 2019
5CW5
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BU of 5cw5 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (QSQ mutant)
Descriptor: BRCA1/BRCA2-containing complex subunit 3, Protein FAM175B
Authors:Zeqiraj, E.
Deposit date:2015-07-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.736 Å)
Cite:Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
5CW3
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BU of 5cw3 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (Zn Edge)
Descriptor: BRCA1/BRCA2-containing complex subunit 3, Protein FAM175B, ZINC ION
Authors:Zeqiraj, E.
Deposit date:2015-07-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
8INP
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BU of 8inp by Molmil
A reversible glycosyltransferase of tectorigenin - Bc7OUGT
Descriptor: Bc7OUGT, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose
Authors:Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J.
Deposit date:2023-03-10
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023

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