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2HQE
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BU of 2hqe by Molmil
Crystal structure of human P100 Tudor domain: Large fragment
Descriptor: P100 Co-activator tudor domain
Authors:Shah, N, Zhao, M, Cheng, C, Xu, H, Yang, J, Silvennoinen, O, Liu, Z.J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2006-07-18
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a large fragment of the Human P100 Tudor Domain
To be Published
6JLI
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BU of 6jli by Molmil
Crystal structure of CTLD7 domain of human PLA2R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Secretory phospholipase A2 receptor
Authors:Yu, B, Hu, Z, Kong, D, Cheng, C, He, Y.
Deposit date:2019-03-06
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.778 Å)
Cite:Crystal structure of the CTLD7 domain of human M-type phospholipase A2 receptor.
J.Struct.Biol., 207, 2019
5JR8
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BU of 5jr8 by Molmil
Disposal of Iron by a Mutant form of Siderocalin NGAL
Descriptor: GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION
Authors:Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A.
Deposit date:2016-05-05
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
7E0W
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BU of 7e0w by Molmil
Crystal Structure of BCH domain from S. pombe
Descriptor: Putative Rho GTPase-activating protein C1565.02c, TETRAETHYLENE GLYCOL
Authors:Chichili, V.P.R, Jobichen, C, Sivaraman, J.
Deposit date:2021-01-28
Release date:2021-03-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel intertwined anti-parallel dimeric structure of scaffold BCH domain regulates RhoA and RhoGAP functions
Proc.Natl.Acad.Sci.USA, 2021
7E4U
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BU of 7e4u by Molmil
Crystal structure of Peroxiredoxin-1
Descriptor: CALCIUM ION, GLYCEROL, Peroxiredoxin 1
Authors:Ahmed, S, Mok, Y.K, Jobichen, C.
Deposit date:2021-02-15
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Peroxiredoxin-1
To Be Published
7E4V
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BU of 7e4v by Molmil
Crystal structure of mosquito Staufen dsRNA binding domain 4
Descriptor: GLYCEROL, Staufen
Authors:Gayathiri, S.K, Jobichen, C, Mok, Y.K.
Deposit date:2021-02-15
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of mosquito Staufen dsRNA binding domain 4
To Be Published
7E50
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BU of 7e50 by Molmil
Crystal structure of human microplasmin in complex with kazal-type inhibitor AaTI
Descriptor: AAEL006007-PA, GLYCEROL, Plasminogen, ...
Authors:Varsha, A.W, Jobichen, C, Mok, Y.K.
Deposit date:2021-02-16
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Aedes aegypti trypsin inhibitor in complex with mu-plasmin reveals role for scaffold stability in Kazal-type serine protease inhibitor.
Protein Sci., 31, 2022
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
3ECR
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BU of 3ecr by Molmil
Structure of human porphobilinogen deaminase
Descriptor: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
Authors:Song, G, Li, Y, Cheng, C, Zhao, Y, Gao, A, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.J.
Deposit date:2008-09-01
Release date:2008-09-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:Structural insight into acute intermittent porphyria.
Faseb J., 23, 2009
2O4X
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BU of 2o4x by Molmil
Crystal structure of human P100 tudor domain
Descriptor: Staphylococcal nuclease domain-containing protein 1
Authors:Shaw, N, Zhao, M, Cheng, C, Xu, H, Yang, J, Silvennoinen, O, Rao, Z, Wang, B.C, Liu, Z.J.
Deposit date:2006-12-05
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human P100 tudor domain
To be Published
3HY6
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BU of 3hy6 by Molmil
Structure of human MTHFS with ADP
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
3HY4
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BU of 3hy4 by Molmil
Structure of human MTHFS with N5-iminium phosphate
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid, ...
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
3HXT
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BU of 3hxt by Molmil
Structure of human MTHFS
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, NICKEL (II) ION
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
3HY3
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BU of 3hy3 by Molmil
Structure of human MTHFS with 10-formyltetrahydrofolate
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid, ...
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
7EQZ
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BU of 7eqz by Molmil
Crystal structure of Carboxypeptidase B complexed with Potato Carboxypeptidase Inhibitor
Descriptor: Carboxypeptidase B, GLYCINE, Metallocarboxypeptidase inhibitor, ...
Authors:Choong, Y.K, Gavor, E, Jobichen, C, Sivaraman, J.
Deposit date:2021-05-05
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Aedes aegypti carboxypeptidase B1-inhibitor complex uncover the disparity between mosquito and non-mosquito insect carboxypeptidase inhibition mechanism.
Protein Sci., 30, 2021
3KET
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BU of 3ket by Molmil
Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae bound to a palindromic operator
Descriptor: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*TP*CP*AP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Thiyagarajan, S, Logan, D, von Wachenfeldt, C.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021
3KEO
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BU of 3keo by Molmil
Crystal Structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+
Descriptor: CHLORIDE ION, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Thiyagarajan, S, Logan, D, von Wachenfeldt, C.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021
3KEQ
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BU of 3keq by Molmil
Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex
Authors:Thiyagarajan, S, Logan, D, von Wachenfeldt, C.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence.
Plos Pathog., 17, 2021
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
Deposit date:2022-06-28
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
4MPB
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BU of 4mpb by Molmil
1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION
Authors:Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-12
Release date:2013-09-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
4MPY
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BU of 4mpy by Molmil
1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+
Descriptor: Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-14
Release date:2013-10-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
5DRT
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BU of 5drt by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
Descriptor: 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Descriptor: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRY
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BU of 5dry by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016

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