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4ZGP
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BU of 4zgp by Molmil
Structure of Cdc123 from Schizosaccharomyces pombe
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division cycle protein 123
Authors:Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E.
Deposit date:2015-04-23
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features.
Structure, 23, 2015
7V6X
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BU of 7v6x by Molmil
Crystal structure of HPPD complexed with Y18556
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pharmacophore-Oriented Discovery of Novel 1,2,3-Benzotriazine-4-one Derivatives as Potent 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 70, 2022
4ZLI
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BU of 4zli by Molmil
Cellobionic acid phosphorylase - 3-O-beta-D-glucopyranosyl-alpha-D-glucopyranuronic acid complex
Descriptor: CHLORIDE ION, GLYCEROL, Putative b-glycan phosphorylase, ...
Authors:Nam, Y.W, Arakawa, T, Fushinobu, S.
Deposit date:2015-05-01
Release date:2015-06-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
7S87
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BU of 7s87 by Molmil
Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
Descriptor: (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-17
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
To Be Published
7S8W
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BU of 7s8w by Molmil
Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine
Descriptor: MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ...
Authors:Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E.
Deposit date:2021-09-20
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes.
Biochemistry, 60, 2021
5D3I
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BU of 5d3i by Molmil
Crystal structure of the SSL3-TLR2 complex
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
5D43
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BU of 5d43 by Molmil
crystal structrue of Mouse centrin 1 in calcium-saturated form
Descriptor: CALCIUM ION, Centrin-1
Authors:Park, J.H, Kim, S.Y, Kim, D.S.
Deposit date:2015-08-07
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal Structure of Wild-Type Centrin 1 from Mus musculus Occupied by Ca2.
Biochemistry Mosc., 82, 2017
5CRU
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BU of 5cru by Molmil
Crystal structure of the Bro domain of HD-PTP
Descriptor: Tyrosine-protein phosphatase non-receptor type 23
Authors:Lee, J, Ku, B, Kim, S.J.
Deposit date:2015-07-23
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Study of the HD-PTP Bro1 Domain in a Complex with the Core Region of STAM2, a Subunit of ESCRT-0
Plos One, 11, 2016
5D9C
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BU of 5d9c by Molmil
Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
Authors:Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
Deposit date:2015-08-18
Release date:2015-09-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
7S1A
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BU of 7s1a by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
Descriptor: ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-01
Release date:2021-10-06
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
4X1N
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BU of 4x1n by Molmil
The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1W
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BU of 4x1w by Molmil
Crystal structure of unbound RHDVb P domain
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, VP1
Authors:Leuthold, M.M, Hansman, G.S.
Deposit date:2014-11-25
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens.
J.Virol., 89, 2015
7S91
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BU of 7s91 by Molmil
Structure of the malate racemase mar2 apoprotein from Thermoanaerobacterium thermosaccharolyticum at 2.25 angstroms resolution
Descriptor: CHLORIDE ION, Malate racemase Mar2
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2021-09-20
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mutational characterization of a malate racemase from the LarA superfamily.
Biometals, 36, 2023
5DBY
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BU of 5dby by Molmil
Crystal Structure of Equine Serum Albumin in Complex with Diclofenac and Naproxen Obtained in Displacement Experiment
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ...
Authors:Sekula, B, Bujacz, A, Bujacz, G.
Deposit date:2015-08-22
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin.
J.Med.Chem., 59, 2016
5DE1
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BU of 5de1 by Molmil
Crystal structure of human IDH1 in complex with GSK321A
Descriptor: (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Concha, N.O, Smallwood, A, Qi, H.
Deposit date:2015-08-25
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
4WZJ
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BU of 4wzj by Molmil
Spliceosomal U4 snRNP core domain
Descriptor: Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ...
Authors:Leung, A.K.W, Nagai, K, Li, J.
Deposit date:2014-11-19
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of the spliceosomal U4 snRNP core domain and its implication for snRNP biogenesis.
Nature, 473, 2011
5DIB
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BU of 5dib by Molmil
2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-08-31
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
5DHI
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BU of 5dhi by Molmil
Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - nonalkylated
Descriptor: 5-epi-aristolochene synthase, MAGNESIUM ION
Authors:Noel, J.P, Kersten, R.D.
Deposit date:2015-08-31
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanism-Based Post-Translational Modification and Inactivation in Terpene Synthases.
Acs Chem.Biol., 10, 2015
4X6A
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BU of 4x6a by Molmil
Crystal structure of yeast RNA polymerase II encountering oxidative Cyclopurine DNA lesions
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2014-12-07
Release date:2015-02-04
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Mechanism of RNA polymerase II bypass of oxidative cyclopurine DNA lesions.
Proc.Natl.Acad.Sci.USA, 112, 2015
7S4W
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BU of 7s4w by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7UMP
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BU of 7ump by Molmil
CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ...
Authors:Davie, D.R, Abendroth, J, Boyd, J.
Deposit date:2022-04-07
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia.
J.Pharmacol.Exp.Ther., 383, 2022
7ULI
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BU of 7uli by Molmil
Apo HMG-CoA Reductase from Arabidopsis thaliana (HMG1)
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1
Authors:Haywood, J, Bond, C.S.
Deposit date:2022-04-05
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
5DIR
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BU of 5dir by Molmil
membrane protein at 2.8 Angstroms
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
Authors:Vogeley, L, El Arnaout, T, Bailey, J, Boland, C, Caffrey, M.
Deposit date:2015-09-01
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of lipoprotein signal peptidase II action and inhibition by the antibiotic globomycin.
Science, 351, 2016
5DJ4
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BU of 5dj4 by Molmil
Leucine-bound Sestrin2 from Homo sapiens
Descriptor: LEUCINE, Sestrin-2
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis for leucine sensing by the Sestrin2-mTORC1 pathway.
Science, 351, 2016
8K0F
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BU of 8k0f by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, in its apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, FE (III) ION, ...
Authors:Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
Deposit date:2023-07-08
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024

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