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2C4E
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BU of 2c4e by Molmil
Crystal Structure of Methanocaldococcus jannaschii Nucleoside Kinase - An Archaeal Member of the Ribokinase Family
Descriptor: MAGNESIUM ION, SUGAR KINASE MJ0406
Authors:Arnfors, L, Hansen, T, Meining, W, Schoenheit, P, Ladenstein, R.
Deposit date:2005-10-18
Release date:2006-08-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Methanocaldococcus Jannaschii Nucleoside Kinase: An Archaeal Member of the Ribokinase Family.
Acta Crystallogr.,Sect.D, 62, 2006
2C49
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BU of 2c49 by Molmil
Crystal Structure of Methanocaldococcus jannaschii Nucleoside Kinase - An Archaeal Member of the Ribokinase Family
Descriptor: ADENOSINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Arnfors, L, Hansen, T, Meining, W, Schoenheit, P, Ladenstein, R.
Deposit date:2005-10-17
Release date:2006-08-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Methanocaldococcus Jannaschii Nucleoside Kinase: An Archaeal Member of the Ribokinase Family.
Acta Crystallogr.,Sect.D, 62, 2006
3W1S
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BU of 3w1s by Molmil
Crystal structure of Saccharomyces cerevisiae Atg12-Atg5 conjugate bound to the N-terminal domain of Atg16
Descriptor: Autophagy protein 16, Autophagy protein 5, Ubiquitin-like protein ATG12
Authors:Noda, N.N, Fujioka, Y, Hanada, T, Ohsumi, Y, Inagaki, F.
Deposit date:2012-11-20
Release date:2012-12-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Atg12-Atg5 conjugate reveals a platform for stimulating Atg8-PE conjugation
Embo Rep., 14, 2013
2N9K
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BU of 2n9k by Molmil
1H, 13C, and 15N Chemical Shift Assignments for in vitro GB1
Descriptor: Immunoglobulin G-binding protein G
Authors:Ikeya, T, Hanashima, T, Hosoya, S, Shimazaki, M, Ikeda, S, Mishima, M, Guentert, P, Ito, Y.
Deposit date:2015-11-26
Release date:2016-12-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Improved in-cell structure determination of proteins at near-physiological concentration
Sci Rep, 6, 2016
2N9L
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BU of 2n9l by Molmil
1H, 13C, and 15N Chemical Shift Assignments for in-cell GB1
Descriptor: Immunoglobulin G-binding protein G
Authors:Ikeya, T, Hanashima, T, Hosoya, S, Shimazaki, M, Ikeda, S, Mishima, M, Guentert, P, Ito, Y.
Deposit date:2015-11-30
Release date:2016-12-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Improved in-cell structure determination of proteins at near-physiological concentration
Sci Rep, 6, 2016
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-08-14
Release date:2016-06-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
6VPT
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BU of 6vpt by Molmil
Crystal structure and mechanistic molecular modeling studies of Rv3377c: the Mycobacterium tuberculosis diterpene cyclase
Descriptor: Cyclase
Authors:Zhang, T, Prach, L, DiMaio, F, Siegel, J.
Deposit date:2020-02-04
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c.
Biochemistry, 59, 2020
4ZAE
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BU of 4zae by Molmil
Development of a novel class of potent and selective FIXa inhibitors
Descriptor: 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-04-13
Release date:2015-06-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6FOC
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BU of 6foc by Molmil
F1-ATPase from Mycobacterium smegmatis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
Authors:Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E.
Deposit date:2018-02-06
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
9ERV
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BU of 9erv by Molmil
Structure of Salmonella CapRel bound to Bas11 Gp54
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, GP54, ...
Authors:Garcia-Pino, A.
Deposit date:2024-03-25
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:A bacterial immunity protein directly senses two disparate phage proteins.
Nature, 635, 2024
6VBI
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BU of 6vbi by Molmil
crystal structure of PDE5 in complex with a non-competitive inhibitor
Descriptor: (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Ke, H, Luo, H.B.
Deposit date:2019-12-18
Release date:2021-01-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.30000758 Å)
Cite:Identification of a novel allosteric pocket and its regulation mechanism
To Be Published
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
Descriptor: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
Authors:Garcia-Pino, A.
Deposit date:2022-05-09
Release date:2022-11-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
5UAS
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BU of 5uas by Molmil
Structure of a new family of Polysaccharide lyase PL25-Ulvanlyase bound to -[GlcA(1-4)Rha3S]-
Descriptor: 1,2-ETHANEDIOL, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CHLORIDE ION, ...
Authors:Ulaganathan, T.S, Cygler, M.
Deposit date:2016-12-20
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Ulvan-Degrading Polysaccharide Lyase Family: Structure and Catalytic Mechanism Suggests Convergent Evolution of Active Site Architecture.
ACS Chem. Biol., 12, 2017
5UAM
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BU of 5uam by Molmil
Structure of a new family of Polysaccharide lyase PL25-Ulvanlyase.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Ulaganathan, T.S, Boniecki, M.T, Cygler, M.
Deposit date:2016-12-19
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New Ulvan-Degrading Polysaccharide Lyase Family: Structure and Catalytic Mechanism Suggests Convergent Evolution of Active Site Architecture.
ACS Chem. Biol., 12, 2017
6BYP
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BU of 6byp by Molmil
Structure of PL24 family Polysaccharide lyase-LOR107
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ulaganathan, T.S, Cygler, M.
Deposit date:2017-12-21
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018
6BYT
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BU of 6byt by Molmil
Complex structure of LOR107 mutant (R320) with tetrasaccharide substrate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Ulaganathan, T.S, Cygler, M.
Deposit date:2017-12-21
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018
7SNO
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BU of 7sno by Molmil
Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase
Descriptor: 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, Arylsulfatase, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
6UVU
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BU of 6uvu by Molmil
Crystal structure of the AntR antimony-specific transcriptional repressor
Descriptor: ArsR family transcriptional regulator
Authors:Thiruselvam, V, Banumathi, S, Palani, K, Manohar, R, Rosen, B.P.
Deposit date:2019-11-04
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor.
Mol.Microbiol., 116, 2021
7SNJ
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BU of 7snj by Molmil
Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
7SNK
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BU of 7snk by Molmil
Structure of Bacple_01702, a GH29 family glycoside hydrolase
Descriptor: Alpha-L-fucosidase, PHOSPHATE ION, POTASSIUM ION
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
5JMD
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BU of 5jmd by Molmil
Heparinase III-BT4657 gene product, Methylated Lysines
Descriptor: Heparinase III protein, MAGNESIUM ION
Authors:Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
Deposit date:2016-04-28
Release date:2016-05-25
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
5JMF
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BU of 5jmf by Molmil
Heparinase III-BT4657 gene product
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ...
Authors:Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
Deposit date:2016-04-28
Release date:2016-05-25
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.V, Laughlin, J.D.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, Laughlin, J.D, LoGrasso, P.V.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
8EP4
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BU of 8ep4 by Molmil
Structure of Bacple_01703
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Ulaganathan, T, Cygler, M.
Deposit date:2022-10-05
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023

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