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1UJM
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BU of 1ujm by Molmil
Crystal structure of aldehyde reductase 2 from Sporobolomyces salmonicolor AKU4429
Descriptor: Aldehyde reductase II, SULFATE ION
Authors:Kamitori, S, Iguchi, A, Ohtaki, A, Kita, K.
Deposit date:2003-08-06
Release date:2004-10-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of aldehyde reductase 2 from Sporobolomyces salmonicolor AKU4429 at 2.0 A resolution
To be Published
8J6E
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BU of 8j6e by Molmil
Structure insights into the NADPH quinone oxidoreductase from Leishmania donovani
Descriptor: Quinone oxidoreductase, putative
Authors:Vishwakarma, C, Ansari, A, Pratap, J.V.
Deposit date:2023-04-25
Release date:2023-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Distinct oligomerization and NADPH binding modes observed between L. donovani and human quinone oxidoreductases.
Biochem.Biophys.Res.Commun., 690, 2023
4ALA
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BU of 4ala by Molmil
Structure of Dengue virus DIII in complex with Fab 2H12
Descriptor: ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ...
Authors:Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R.
Deposit date:2012-03-02
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
5ZQ3
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BU of 5zq3 by Molmil
PDE-Ubiquitin
Descriptor: SidE, Ubiquitin
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
5YU0
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BU of 5yu0 by Molmil
Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase
Descriptor: Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H.
Deposit date:2017-11-20
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
4AL8
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BU of 4al8 by Molmil
Structure of Dengue virus DIII in complex with Fab 2H12
Descriptor: ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ...
Authors:Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R.
Deposit date:2012-03-02
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
4BNN
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BU of 4bnn by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol
Descriptor: 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
Authors:Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
Deposit date:2013-05-15
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
4C2G
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BU of 4c2g by Molmil
Crystal structure of CtpB(S309A) in complex with a peptide having a Val-Pro-Ala C-terminus
Descriptor: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1
Authors:Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
Deposit date:2013-08-17
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
4YD7
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BU of 4yd7 by Molmil
Endothiapepsin in complex with fragment 255
Descriptor: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-21
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5ZJR
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BU of 5zjr by Molmil
Structure of AbdB/Exd complex bound to a 'Magenta14' DNA sequence
Descriptor: DNA (5'-D(*GP*TP*CP*GP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*CP*GP*AP*C)-3'), Homeobox protein abdominal-B, ...
Authors:Zeiske, T, Baburajendran, N, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
Deposit date:2018-03-22
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZCO
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BU of 5zco by Molmil
azide-bound cytochrome c oxidase structure determined using the crystals exposed to 2 mM azide solution for 2 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
Deposit date:2018-02-19
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
5ZEB
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BU of 5zeb by Molmil
M. Smegmatis P/P state 70S ribosome structure
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S.
Deposit date:2018-02-27
Release date:2018-09-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
8I7J
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BU of 8i7j by Molmil
Yeast 40S-eIF4B - partially open conformation of the 40S head
Descriptor: 40S ribosomal protein S0, 40S ribosomal protein S1, 40S ribosomal protein S12, ...
Authors:Datey, A, Khaja, F.T, Hussain, T.
Deposit date:2023-01-31
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Yeast eukaryotic initiation factor 4B remodels the mRNA entry site on the small ribosomal subunit
To Be Published
8IL6
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BU of 8il6 by Molmil
Thanatin PM15 with LPS
Descriptor: Thanatin PM15
Authors:Swaleeha, A, Bhattacharyya, S.
Deposit date:2023-03-01
Release date:2024-02-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Thanatin PM15 with LPS
To Be Published
6TFN
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BU of 6tfn by Molmil
Linalool Dehydratase Isomerase in complex with Myrcene
Descriptor: 7-methyl-3-methylidene-oct-1-ene, Linalool dehydratase-isomerase protein LDI
Authors:Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
Deposit date:2019-11-14
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
5ZQ5
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BU of 5zq5 by Molmil
SidE-Ubi
Descriptor: SidE, Ubiquitin
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
5YU1
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BU of 5yu1 by Molmil
Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase
Descriptor: (2S)-piperidine-2-carboxylic acid, Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H.
Deposit date:2017-11-20
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
5YXO
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BU of 5yxo by Molmil
Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG in bent conformation
Descriptor: Pilus assembly protein
Authors:Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V.
Deposit date:2017-12-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism.
Commun Biol, 1, 2018
2HNC
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BU of 2hnc by Molmil
Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
Descriptor: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Menchise, V, Di Fiore, A, De Simone, G.
Deposit date:2006-07-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
1UKV
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BU of 1ukv by Molmil
Structure of RabGDP-dissociation inhibitor in complex with prenylated YPT1 GTPase
Descriptor: GERAN-8-YL GERAN, GTP-binding protein YPT1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Rak, A, Pylypenko, O, Durek, T, Watzke, A, Kushnir, S, Brunsveld, L, Waldmann, H, Goody, R.S, Alexandrov, K.
Deposit date:2003-09-01
Release date:2004-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Rab GDP-dissociation inhibitor in complex with prenylated YPT1 GTPase
Science, 302, 2003
4C8B
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BU of 4c8b by Molmil
Structure of the kinase domain of human RIPK2 in complex with ponatinib
Descriptor: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Canning, P, Krojer, T, Bradley, A, Mahajan, P, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Inflammatory Signaling by NOD-RIPK2 Is Inhibited by Clinically Relevant Type II Kinase Inhibitors.
Chem. Biol., 22, 2015
5Z1L
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BU of 5z1l by Molmil
Cryo-EM structure of Methanoccus maripaludis archaellum
Descriptor: Flagellin
Authors:Meshcheryakov, V.A, Shibata, S, Schreiber, M.T, Villar-Briones, A, Jarrell, K.F, Aizawa, S, Wolf, M.
Deposit date:2017-12-26
Release date:2019-02-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:High-resolution archaellum structure reveals a conserved metal-binding site.
Embo Rep., 20, 2019
4AOS
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BU of 4aos by Molmil
Oxidized steroid monooxygenase bound to NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, STEROID MONOOXYGENASE, ...
Authors:Franceschini, S, van Beek, H.L, Martinoli, C, Fraaije, M.W, Mattevi, A.
Deposit date:2012-03-29
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Exploring the Structural Basis of Substrate Preferences in Baeyer-Villiger Monooxygenases: Insight from Steroid Monooxygenase.
J.Biol.Chem., 287, 2012
5Z40
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BU of 5z40 by Molmil
Crystal structure of pyrrolidone carboxylate peptidase I from Deionococcus radiodurans R1
Descriptor: Pyrrolidone-carboxylate peptidase
Authors:Agrawal, R, Kumar, A, Makde, R.D.
Deposit date:2018-01-09
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Crystal structures of pyrrolidone carboxylate peptidase I from Deionococcus radiodurans reveal the mechanism of L-pyroglutamate recognition
To Be Published
4AOX
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BU of 4aox by Molmil
Oxidized steroid monooxygenase bound to NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, STEROID MONOOXYGENASE, SULFATE ION
Authors:Franceschini, S, van Beek, H.L, Martinoli, C, Fraaije, M.W, Mattevi, A.
Deposit date:2012-03-30
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Exploring the Structural Basis of Substrate Preferences in Baeyer-Villiger Monooxygenases: Insight from Steroid Monooxygenase.
J.Biol.Chem., 287, 2012

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