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1W1Q
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BU of 1w1q by Molmil
Plant Cytokinin Dehydrogenase in Complex with Isopentenyladenine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE 1, ...
Authors:Malito, E, Mattevi, A.
Deposit date:2004-06-23
Release date:2004-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
J.Mol.Biol., 341, 2004
6G48
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BU of 6g48 by Molmil
Sporosarcina pasteurii urease inhibited by silver
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2018-03-27
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The structure of urease inactivated by Ag(i): a new paradigm for enzyme inhibition by heavy metals.
Dalton Trans, 47, 2018
8BZD
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BU of 8bzd by Molmil
deAc-FC stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZT
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BU of 8bzt by Molmil
FC-NAg stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZH
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BU of 8bzh by Molmil
FC-NAc stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8HPG
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BU of 8hpg by Molmil
Crystal structure of phenylpyruvate reductase from Lactobacillus sp. CGMCC 9967
Descriptor: Phenylpyruvate reductase
Authors:Yang, J.H, Song, W.
Deposit date:2022-12-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.895 Å)
Cite:One-Pot Biocatalytic Transformation of L-DOPA to D-Danshensu
To Be Published
8BZG
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BU of 8bzg by Molmil
FC-31 stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
5LIE
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BU of 5lie by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with imidazole
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
Authors:Levy, C, Munro, A.W, Leys, D.
Deposit date:2016-07-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
4GQX
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BU of 4gqx by Molmil
Crystal structure of EIIA(NTR) from Burkholderia pseudomallei
Descriptor: PTS IIA-like nitrogen-regulatory protein PtsN
Authors:Kim, M.-S, Shin, D.H.
Deposit date:2012-08-24
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:New molecular interaction of IIA(Ntr) and HPr from Burkholderia pseudomallei identified by X-ray crystallography and docking studies
Proteins, 81, 2013
3PBO
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BU of 3pbo by Molmil
Crystal structure of PBP3 complexed with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Penicillin-binding protein 3
Authors:Han, S.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
8C0L
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BU of 8c0l by Molmil
FC-THF stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-17
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
5LK0
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BU of 5lk0 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 100 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, SODIUM ION
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
6G74
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BU of 6g74 by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
Descriptor: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-04
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
5LBZ
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BU of 5lbz by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib
Descriptor: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Schneider, S, Medard, G, Kuster, B.
Deposit date:2016-06-17
Release date:2017-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
8OUG
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BU of 8oug by Molmil
Exo-beta-d-glucosaminidase from Pyrococcus chitonophagus
Descriptor: 1,2-ETHANEDIOL, Beta-galactosidase, CHLORIDE ION
Authors:Rypniewski, W, Biniek-Antosiak, K, Bejger, M.
Deposit date:2023-04-22
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exo-beta-d-glucosaminidase from Pyrococcus chitonophagus
To Be Published
1FQG
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BU of 1fqg by Molmil
MOLECULAR STRUCTURE OF THE ACYL-ENZYME INTERMEDIATE IN TEM-1 BETA-LACTAMASE
Descriptor: OPEN FORM - PENICILLIN G, TEM-1 BETA-LACTAMASE
Authors:Strynadka, N.C.
Deposit date:2000-09-05
Release date:2000-11-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular structure of the acyl-enzyme intermediate in beta-lactam hydrolysis at 1.7 A resolution.
Nature, 359, 1992
6FRZ
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BU of 6frz by Molmil
Phosphotriesterase PTE_A53_7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-18
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Phosphotriesterase PTE_A53_7
To Be Published
5LDX
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BU of 5ldx by Molmil
Structure of mammalian respiratory Complex I, class3.
Descriptor: Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Vinothkumar, K.R, Zhu, J, Hirst, J.
Deposit date:2016-06-28
Release date:2016-09-14
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structure of mammalian respiratory complex I.
Nature, 536, 2016
5T31
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BU of 5t31 by Molmil
Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J.
Deposit date:2016-08-24
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5LKS
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BU of 5lks by Molmil
Structure-function insights reveal the human ribosome as a cancer target for antibiotics
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P.
Deposit date:2016-07-23
Release date:2017-04-26
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure-function insights reveal the human ribosome as a cancer target for antibiotics.
Nat Commun, 7, 2016
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
3PBT
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BU of 3pbt by Molmil
Crystal structure of PBP3 complexed with MC-1
Descriptor: (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 3
Authors:Han, S, Evdokimov, A.
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3BG0
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BU of 3bg0 by Molmil
Architecture of a Coat for the Nuclear Pore Membrane
Descriptor: Nucleoporin NUP145, Protein SEC13 homolog
Authors:Hoelz, A.
Deposit date:2007-11-23
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Architecture of a coat for the nuclear pore membrane.
Cell(Cambridge,Mass.), 131, 2007
5LUH
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BU of 5luh by Molmil
AadA E87Q in complex with ATP, calcium and streptomycin
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Stern, A.L, Van der Verren, S.E, Selmer, M.
Deposit date:2016-09-08
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
6GK0
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BU of 6gk0 by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ...
Authors:Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S.
Deposit date:2018-05-17
Release date:2019-11-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020

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