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3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQG
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BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
4OWI
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BU of 4owi by Molmil
peptide structure
Descriptor: p53LZ2
Authors:Lee, J.-H.
Deposit date:2014-02-02
Release date:2014-05-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Protein grafting of p53TAD onto a leucine zipper scaffold generates a potent HDM dual inhibitor.
Nat Commun, 5, 2014
3SX9
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BU of 3sx9 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
2J7Z
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BU of 2j7z by Molmil
Crystal Structure of recombinant Human Stromal Cell-Derived Factor- 1alpha
Descriptor: STROMAL CELL-DERIVED FACTOR 1 ALPHA
Authors:Ryu, E.K, Kim, T.G, Kwon, T.H, Jung, I.D, Ryu, D.W, Park, Y.-M, Ahn, K, Ban, C.
Deposit date:2006-10-18
Release date:2006-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha.
Proteins, 67, 2007
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
5F8E
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BU of 5f8e by Molmil
Rv2258c-SAH
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
4O9C
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BU of 4o9c by Molmil
Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16
Descriptor: Acetyl-CoA acetyltransferase, COENZYME A
Authors:Kim, E.J, Kim, J, Kim, S, Kim, K.J.
Deposit date:2014-01-02
Release date:2014-12-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium.
Biochem.Biophys.Res.Commun., 452, 2014
5F8F
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BU of 5f8f by Molmil
Rv2258c-SFG
Descriptor: GLYCEROL, Methyltransferase, SINEFUNGIN
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
5F8C
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BU of 5f8c by Molmil
Rv2258c-unbound
Descriptor: GLYCEROL, Methyltransferase
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
1KOZ
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BU of 1koz by Molmil
SOLUTION STRUCTURE OF OMEGA-GRAMMOTOXIN SIA
Descriptor: Voltage-dependent Channel Inhibitor
Authors:Takeuchi, K, Park, E.J, Lee, C.W, Kim, J.I, Takahashi, H, Swartz, K.J, Shimada, I.
Deposit date:2001-12-25
Release date:2002-08-28
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of omega-grammotoxin SIA, a gating modifier of P/Q and N-type Ca(2+) channel.
J.Mol.Biol., 321, 2002
5H6Z
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BU of 5h6z by Molmil
Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe
Descriptor: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, SET domain-containing protein 7, ...
Authors:Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
4O9A
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BU of 4o9a by Molmil
Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16
Descriptor: Acetyl-CoA acetyltransferase
Authors:Kim, E.J, Kim, J, Kim, S, Kim, K.J.
Deposit date:2014-01-02
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium.
Biochem.Biophys.Res.Commun., 452, 2014
4O99
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BU of 4o99 by Molmil
Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16
Descriptor: Acetyl-CoA acetyltransferase, GLYCEROL
Authors:Kim, E.J, Kim, J, Kim, S, Kim, K.J.
Deposit date:2014-01-02
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium.
Biochem.Biophys.Res.Commun., 452, 2014
7E69
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BU of 7e69 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-3
Descriptor: N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E64
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BU of 7e64 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-2
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E65
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BU of 7e65 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3
Descriptor: (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E67
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BU of 7e67 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2
Descriptor: N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E60
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BU of 7e60 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 1
Descriptor: (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid, Peptidase M23, ZINC ION
Authors:Min, K, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E61
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BU of 7e61 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E63
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BU of 7e63 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E66
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BU of 7e66 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1
Descriptor: N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
8FBW
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BU of 8fbw by Molmil
Crystal structure of SIV-1 V2 antibody NCI05 in complex with a V2 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, T, Kwong, P.D, Van Wazer, D.J.
Deposit date:2022-11-30
Release date:2023-01-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Effect of Passive Administration of Monoclonal Antibodies Recognizing Simian Immunodeficiency Virus (SIV) V2 in CH59-Like Coil/Helical or beta-Sheet Conformations on Time of SIV mac251 Acquisition.
J.Virol., 97, 2023
4UAB
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BU of 4uab by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
Descriptor: CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-08-08
Release date:2014-09-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6MFJ
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BU of 6mfj by Molmil
Crystal structure of the ADCC potent antibody DH677.3 Fab elicited in the RV305 vaccine trial.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH677.3 Fab heavy chain, DH677.3 Fab light chain
Authors:Young, B, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020

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