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3VGU
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BU of 3vgu by Molmil
E134A mutant nucleoside diphosphate kinase derived from Halomonas sp. 593
Descriptor: Nucleoside diphosphate kinase
Authors:Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2011-08-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
3LM8
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BU of 3lm8 by Molmil
Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kuzin, A, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-03-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Northeast Structural Genomics Consortium Target SR677
To be Published
6ZEZ
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BU of 6zez by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZEX
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BU of 6zex by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF5
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BU of 6zf5 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
Descriptor: Alpha-synuclein
Authors:Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
Deposit date:2024-03-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
7X4H
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BU of 7x4h by Molmil
Crystal structure of CK2a1 complexed with AG1112
Descriptor: 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein Kinase 2 subunit alpha
Authors:Ikeda, A, Kinoshita, T, Tsuyuguchi, M.
Deposit date:2022-03-02
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
3LMM
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BU of 3lmm by Molmil
Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35
Descriptor: CHLORIDE ION, COBALT (II) ION, Uncharacterized protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-02-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Northeast Structural Genomics Consortium Target CdR35
To be Published
6ZBF
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BU of 6zbf by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 3
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBD
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BU of 6zbd by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 2
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBE
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BU of 6zbe by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 1
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBH
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BU of 6zbh by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 5
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBL
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BU of 6zbl by Molmil
Plasmodium falciparum merozoite surface protein 1 dimer, conformation 2
Descriptor: Merozoite surface protein-1, Precursor of the major merozoite surface antigens
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBC
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BU of 6zbc by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, main conformation
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBG
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BU of 6zbg by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 4
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBJ
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BU of 6zbj by Molmil
Plasmodium falciparum merozoite surface protein 1 dimer, conformation 1
Descriptor: Merozoite surface protein-1, Precursor of the major merozoite surface antigens
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
4UIR
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BU of 4uir by Molmil
Structure of oleate hydratase from Elizabethkingia meningoseptica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ...
Authors:Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K.
Deposit date:2015-04-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16, 2015
3VGV
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BU of 3vgv by Molmil
E134A mutant nucleoside diphosphate kinase derived from Halomonas sp. 593
Descriptor: Nucleoside diphosphate kinase
Authors:Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2011-08-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
3LYO
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BU of 3lyo by Molmil
CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 95% ACETONITRILE-WATER
Descriptor: ACETONITRILE, LYSOZYME
Authors:Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y.
Deposit date:1998-03-11
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
4V8S
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BU of 4v8s by Molmil
Archaeal RNAP-DNA binary complex at 4.32Ang
Descriptor: 5'-D(*AP*TP*AP*GP*AP*GP*TP*AP*TP*AP*AP*GP*AP*TP *AP*G)-3', 5'-D(*TP*CP*TP*TP*AP*TP*AP*CP*TP*CP*TP*AP*TP*CP)-3', DNA-DIRECTED RNA POLYMERASE, ...
Authors:Wojtas, M.N, Mogni, M, Millet, O, Bell, S.D, Abrescia, N.G.A.
Deposit date:2012-07-12
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.323 Å)
Cite:Structural and Functional Analyses of the Interaction of Archaeal RNA Polymerase with DNA.
Nucleic Acids Res., 40, 2012
3MH0
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BU of 3mh0 by Molmil
Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3VQJ
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BU of 3vqj by Molmil
Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase
Descriptor: Carbonyl sulfide hydrolase, SODIUM ION, ZINC ION
Authors:Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M.
Deposit date:2012-03-24
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes
J.Am.Chem.Soc., 135, 2013
7XAD
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BU of 7xad by Molmil
Crystal strucutre of PD-L1 and DBL2_02 designed protein binder
Descriptor: DBL2_02 binder, Programmed cell death 1 ligand 1
Authors:Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G.
Deposit date:2022-03-17
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
3MNO
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BU of 3mno by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
3MPR
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BU of 3mpr by Molmil
Crystal Structure of endonuclease/exonuclease/phosphatase family protein from Bacteroides thetaiotaomicron, Northeast Structural Genomics Consortium Target BtR318A
Descriptor: ACETIC ACID, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-27
Release date:2010-05-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Northeast Structural Genomics Consortium Target BtR318A
To be Published

222036

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