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2XF3
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BU of 2xf3 by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
Descriptor: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
Authors:Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
Deposit date:2010-05-20
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
1GUE
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BU of 1gue by Molmil
SENSORY RHODOPSIN II
Descriptor: CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II
Authors:Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M.
Deposit date:2002-01-24
Release date:2002-04-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor
Structure, 10, 2002
4YCY
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BU of 4ycy by Molmil
Endothiapepsin in complex with fragment 218
Descriptor: 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-20
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD6
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BU of 4yd6 by Molmil
Endothiapepsin in complex with fragment 240
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
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 (1.298 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
6GOL
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BU of 6gol by Molmil
Three dimensional structure of a novel influenza hemagglutinin tri-stalk protein
Descriptor: Hemagglutinin tri-stalk
Authors:Kirsteina, A, Kazaks, A, Tars, K.
Deposit date:2018-06-01
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and applications of novel influenza HA tri-stalk protein for evaluation of HA stem-specific immunity.
PLoS ONE, 13, 2018
6HS3
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BU of 6hs3 by Molmil
Crystal structure of an ABC transporter related protein from Burkholderia pseudomallei
Descriptor: ABC transporter family protein, CHLORIDE ION
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2018-09-28
Release date:2018-11-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of lipopolysaccharide transport protein B (LptB) from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 75, 2019
8A5W
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BU of 8a5w by Molmil
Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine
Descriptor: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B.
Deposit date:2022-06-16
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Protein Sci., 32, 2023
1HHN
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BU of 1hhn by Molmil
Calreticulin P-domain
Descriptor: CALRETICULIN
Authors:Ellgaard, L, Riek, R, Herrmann, T, Guntert, P, Braun, D, Helenius, A, Wuthrich, K.
Deposit date:2000-12-22
Release date:2001-03-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of the Calreticulin P-Domain
Proc.Natl.Acad.Sci.USA, 98, 2001
8A5V
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BU of 8a5v by Molmil
Crystal structure of the human phosposerine aminotransferase (PSAT)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase, SULFATE ION
Authors:Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B.
Deposit date:2022-06-16
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Protein Sci., 32, 2023
6GMD
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BU of 6gmd by Molmil
The crystal structure of CK2alpha in complex with compound 3
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2018-05-25
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
6GQ1
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BU of 6gq1 by Molmil
Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GMPPCP/sordarin)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
Authors:Pellegrino, S, Demeshkina, N, Mancera-Martinez, E, Melnikov, S, Simonetti, A, Myasnikov, A, Yusupov, M, Yusupova, G, Hashem, Y.
Deposit date:2018-06-07
Release date:2018-07-11
Last modified:2018-08-08
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance.
J. Mol. Biol., 430, 2018
3V2B
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BU of 3v2b by Molmil
Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose
Descriptor: Poly [ADP-ribose] polymerase 15, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-12-12
Release date:2011-12-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
4Y3T
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BU of 4y3t by Molmil
Endothiapepsin in complex with fragment 207
Descriptor: (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ...
Authors:Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
6HDA
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BU of 6hda by Molmil
Crystal structure of the potassium channel MtTMEM175 with cesium
Descriptor: CESIUM ION, DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
Deposit date:2018-08-17
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
6ELV
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BU of 6elv by Molmil
Recombinantly expressed C-terminal domain of MdPPO1 (Csole-domain)
Descriptor: CALCIUM ION, CHLORIDE ION, Polyphenol oxidase, ...
Authors:Kampatsikas, I, Bijelic, A, Pretzler, M, Rompel, A.
Deposit date:2017-09-29
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:A Peptide-Induced Self-Cleavage Reaction Initiates the Activation of Tyrosinase.
Angew.Chem.Int.Ed.Engl., 58, 2019
4Y5A
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BU of 4y5a by Molmil
Endothiapepsin in complex with fragment 206
Descriptor: 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ...
Authors:Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
4Y5L
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BU of 4y5l by Molmil
Endothiapepsin in its apo form
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
1HAO
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BU of 1hao by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA)
Descriptor: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1995-10-03
Release date:1996-04-03
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
5L7K
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BU of 5l7k by Molmil
The crystal structure of myristoylated NPHP3 peptide in complex with UNC119a
Descriptor: GLY-THR-ALA-SER-SER-LEU, MYRISTIC ACID, Protein unc-119 homolog A
Authors:Fansa, E.K, Jaiswal, M, Wittinghofer, A.
Deposit date:2016-06-03
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Biochemical and Structural Insights into the Interaction of Myristoylated Cargo with Unc119 Protein and Their Release by Arl2/3.
J.Biol.Chem., 291, 2016
6ES2
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BU of 6es2 by Molmil
Structure of CDX2-DNA(CAA)
Descriptor: DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2017-10-19
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
5L7P
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BU of 5l7p by Molmil
In silico-powered specific incorporation of photocaged Dopa at multiple protein sites
Descriptor: (2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Hauf, M, Richter, F, Schneider, T, Martins, B.M, Baumann, T, Durkin, P, Dobbek, H, Moeglich, A, Budisa, N.
Deposit date:2016-06-03
Release date:2017-09-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code.
Chembiochem, 18, 2017
7ZJS
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BU of 7zjs by Molmil
Structural basis of centromeric cohesion protection by SGO1
Descriptor: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Shugoshin 1
Authors:Patel, A, Panne, D.
Deposit date:2022-04-11
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural basis of centromeric cohesion protection.
Nat.Struct.Mol.Biol., 30, 2023
6HFI
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BU of 6hfi by Molmil
Human dihydroorotase mutant F1563A apo structure
Descriptor: CAD protein, FORMIC ACID, ZINC ION
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45994723 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
1PRN
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BU of 1prn by Molmil
REFINED STRUCTURE OF PORIN FROM RHODOPSEUDOMONAS BLASTICA AND COMPARISON WITH THE PORIN FROM RHODOBACTER CAPSULATUS
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PORIN
Authors:Kreusch, A, Schulz, G.E.
Deposit date:1994-07-13
Release date:1994-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Refined structure of the porin from Rhodopseudomonas blastica. Comparison with the porin from Rhodobacter capsulatus.
J.Mol.Biol., 243, 1994
7ZLO
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BU of 7zlo by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023

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