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4P7W
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BU of 4p7w by Molmil
L-proline-bound L-proline cis-4-hydroxylase
Descriptor: 2-OXOGLUTARIC ACID, COBALT (II) ION, L-proline cis-4-hydroxylase, ...
Authors:Shomura, Y, Koketsu, K, Moriwaki, K, Hayashi, M, Mitsuhashi, S, Hara, R, Kino, K, Higuchi, Y.
Deposit date:2014-03-28
Release date:2014-09-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Refined Regio- and Stereoselective Hydroxylation of l-Pipecolic Acid by Protein Engineering of l-Proline cis-4-Hydroxylase Based on the X-ray Crystal Structure.
Acs Synth Biol, 4, 2015
7SMJ
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BU of 7smj by Molmil
F2N structure, protein design with deep learning
Descriptor: AI-designed TIM-barrel F2N
Authors:Mathews, I.I, Anand-Achim, N, Huang, P.
Deposit date:2021-10-26
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Protein sequence design with a learned potential.
Nat Commun, 13, 2022
4PH3
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BU of 4ph3 by Molmil
N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin)
Descriptor: BLV capsid, GLYCEROL, IODIDE ION
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4V68
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BU of 4v68 by Molmil
T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Schuette, J.-C, Spahn, C.M.T.
Deposit date:2008-12-11
Release date:2014-07-09
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:GTPase activation of elongation factor EF-Tu by the ribosome during decoding
Embo J., 28, 2009
3VOZ
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BU of 3voz by Molmil
Crystal structure of human glutaminase in complex with BPTES
Descriptor: Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
5IBU
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BU of 5ibu by Molmil
6652 Fab (unbound)
Descriptor: 6652 Heavy Chain, 6652 Light Chain
Authors:Raymond, D.D, Harrison, S.C.
Deposit date:2016-02-22
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain.
Nat. Med., 22, 2016
6RRA
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BU of 6rra by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS IN COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Martinez-Julvez, M, Taleb, V, Medina, M.
Deposit date:2019-05-17
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Towards the competent conformation for catalysis in the ferredoxin-NADP+reductase from the Brucella ovis pathogen.
Biochim Biophys Acta Bioenerg, 1860, 2019
4PIA
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BU of 4pia by Molmil
Crystal structure of S. Aureus Autolysin E
Descriptor: Autolysin E, CHLORIDE ION
Authors:Mihelic, M, Renko, M, Dobersek, A, Bedrac, L, Turk, D.
Deposit date:2014-05-08
Release date:2015-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
6RSE
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BU of 6rse by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
Descriptor: Tyrosine-protein kinase JAK1, methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
4V73
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BU of 4v73 by Molmil
E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in hybrid pre-translocation state (pre5a)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H.
Deposit date:2013-10-14
Release date:2014-07-09
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
6RRR
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BU of 6rrr by Molmil
Crystal structure of the tyrosinase PvdP from Pseudomonas aeruginosa
Descriptor: GLYCEROL, PvdP
Authors:Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J.
Deposit date:2019-05-20
Release date:2020-04-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
4WAF
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BU of 4waf by Molmil
Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha
Descriptor: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5I6Y
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BU of 5i6y by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A90E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-02-16
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS A90E at cryogenic temperature
To be Published
4WC8
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BU of 4wc8 by Molmil
Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69).
Descriptor: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MLE-ALA-VAL-LYS, ...
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-09-04
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
6RUE
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BU of 6rue by Molmil
Wolinella succinogenes L-asparaginase mutant V23Q,K24T with L-Asp
Descriptor: ASPARTIC ACID, L-asparaginase
Authors:Timofeev, V.I, Kuranova, I.P.
Deposit date:2019-05-28
Release date:2020-07-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Features of the Three Dimensional Structure of the Mutant Form of Wolinella succinogenes L-Asparaginase in Complexes with L-Aspartic and L-Glutamic Acids
Russ.J.Bioorganic Chem., 46, 2020
6RVH
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BU of 6rvh by Molmil
NADH-dependent Coenzyme A Disulfide Reductase soaked with Menadione
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, MENADIONE, ...
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
4PLU
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BU of 4plu by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-05-19
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
6RUZ
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BU of 6ruz by Molmil
NADH-dependent Coenzyme A Disulfide Reductase
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-29
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
4PLZ
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BU of 4plz by Molmil
Crystal structure of Plasmodium falciparum lactate dehydrogenase mutant W107fA.
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase, OXAMIC ACID
Authors:Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L.
Deposit date:2014-05-20
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
4PD9
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BU of 4pd9 by Molmil
Structure of vcCNT-7C8C bound to adenosine
Descriptor: ADENOSINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4V24
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BU of 4v24 by Molmil
Sphingosine kinase 1 in complex with PF-543
Descriptor: ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
Authors:Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A.
Deposit date:2014-10-05
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Sphingosine Kinase 1 with Pf-543.
Acs Med.Chem.Lett., 5, 2014
5I89
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BU of 5i89 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790
Descriptor: (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ...
Authors:Setser, J.W, Poy, F, Bellon, S.F.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
6RVO
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BU of 6rvo by Molmil
Multicrystal dataset of thaumatin collected using a multilayer monochromator.
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Winter, G.
Deposit date:2019-05-31
Release date:2019-06-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
6RW8
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BU of 6rw8 by Molmil
Cryo-EM structure of Xenorhabdus nematophila XptA1
Descriptor: A component of insecticidal toxin complex (Tc)
Authors:Roderer, D, Leidreiter, F, Gatsogiannis, C, Meusch, D, Benz, R, Raunser, S.
Deposit date:2019-06-04
Release date:2019-10-23
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Common architecture of Tc toxins from human and insect pathogenic bacteria.
Sci Adv, 5, 2019

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