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5FP8
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BU of 5fp8 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- ylmethylaminopyridine-4-carboxylic acid
Descriptor: 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
2OD5
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BU of 2od5 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE NUCLEIC ACID BINDING PROTEIN (JCVI_PEP_1096688149193) FROM UNCULTURED MARINE ORGANISM AT 1.79 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-12-21
Release date:2007-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of hypothetical protein (JCVI_PEP_1096688149193) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.79 A resolution
To be published
6Y0N
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BU of 6y0n by Molmil
Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods
Descriptor: 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
Deposit date:2020-02-10
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
5CSD
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BU of 5csd by Molmil
Ligand binding domain 2 of Penicillium marneffei MP1 protein in complex with arachidonic acids
Descriptor: ARACHIDONIC ACID, Envelope glycoprotein, GLYCEROL
Authors:Lam, W.H, Zhang, H, Hao, Q.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response
Cell Chem Biol, 24, 2017
2OD4
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BU of 2od4 by Molmil
Crystal structure of a dimeric ferredoxin-like protein (jcvi_pep_1096665735785) from uncultured marine organism at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-12-21
Release date:2007-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of hypothetical protein (JCVI_PEP_1096665735785) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.70 A resolution
To be published
8AY3
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BU of 8ay3 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-iSB9-HAB1 TERNARY COMPLEX
Descriptor: CHLORIDE ION, CsPYL1, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-01
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY8
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BU of 8ay8 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB9-HAB1 TERNARY COMPLEX
Descriptor: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AYA
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BU of 8aya by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-A10-HAB1 TERNARY COMPLEX
Descriptor: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY6
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BU of 8ay6 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-HAB1 TERNARY COMPLEX
Descriptor: 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, Abscisic acid receptor PYL1, CHLORIDE ION, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY9
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BU of 8ay9 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL1, CHLORIDE ION, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY7
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BU of 8ay7 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB7-HAB1 TERNARY COMPLEX
Descriptor: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
5DMY
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BU of 5dmy by Molmil
Beta-galactosidase - construct 33-930
Descriptor: 1,2-ETHANEDIOL, Beta-galactosidase, MAGNESIUM ION, ...
Authors:Watson, K.A, Lazidou, A.
Deposit date:2015-09-09
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational protein engineering toward the development of a beta-galactosidase with improved functional properties
To Be Published
5BZ5
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BU of 5bz5 by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to AMN1 RNA
Descriptor: RNA (5'-R(*UP*GP*UP*AP*AP*CP*UP*UP*UP*A)-3'), Suppressor protein MPT5
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-11
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5BZV
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BU of 5bzv by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to SMX2 RNA
Descriptor: RNA (5'-R(*UP*GP*UP*AP*CP*UP*AP*UP*A)-3'), Suppressor protein MPT5
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-11
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5H8X
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BU of 5h8x by Molmil
Crystal structure of the complex MMP-8/BF471 (catechol inhibitor)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Capelli, D, Tortorella, P.
Deposit date:2015-12-24
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity.
J Enzyme Inhib Med Chem, 31, 2016
3WSA
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BU of 3wsa by Molmil
The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
Descriptor: N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase
Authors:Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2014-03-05
Release date:2015-04-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SQ109, a new drug lead for Chagas disease.
Antimicrob.Agents Chemother., 59, 2015
5BYM
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BU of 5bym by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to SMX2 RNA
Descriptor: RNA (5'-R(*UP*GP*UP*AP*CP*UP*AP*UP*A)-3'), Suppressor protein MPT5
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-10
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
3WCC
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BU of 3wcc by Molmil
The complex structure of TcSQS with ligand, E5700
Descriptor: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
2PAJ
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BU of 2paj by Molmil
Crystal structure of an amidohydrolase from an environmental sample of Sargasso sea
Descriptor: ZINC ION, putative cytosine/guanine deaminase
Authors:Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-27
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and structure determination of the orphan enzyme isoxanthopterin deaminase.
Biochemistry, 49, 2010
5AAN
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BU of 5aan by Molmil
Crystal structure of Drosophila NCS-1 bound to penothiazine FD44
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CG5907-PA, ...
Authors:Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J.
Deposit date:2015-07-27
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5HM0
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BU of 5hm0 by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3
Descriptor: 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-01-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
2PGC
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BU of 2pgc by Molmil
Crystal structure of a a marine metagenome protein (jcvi_pep_1096685590403) from uncultured marine organism at 2.53 A resolution
Descriptor: CHLORIDE ION, uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-04-09
Release date:2007-04-24
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of uncharacterized protein (JCVI_PEP_1096685590403) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 2.53 A resolution
To be published
3UW3
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BU of 3uw3 by Molmil
Crystal Structure of an Aspartate-Semialdehyde Dehydrogenase from Burkholderia Thailandensis
Descriptor: 1,2-ETHANEDIOL, Aspartate-semialdehyde dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
7X8A
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BU of 7x8a by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-11
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7XC7
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BU of 7xc7 by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-23
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022

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