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6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
Descriptor: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
Authors:Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
5BUG
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BU of 5bug by Molmil
Crystal structure of human phosphatase PTEN oxidized by H2O2
Descriptor: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
Authors:Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
Deposit date:2015-06-03
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5B5Y
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BU of 5b5y by Molmil
Crystal structure of PtLCIB4, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: ACETATE ION, PtLCIB4, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1L8N
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BU of 1l8n by Molmil
The 1.5A crystal structure of alpha-D-glucuronidase from Bacillus stearothermophilus T-1, complexed with 4-O-methyl-glucuronic acid and xylotriose
Descriptor: 4-O-methyl-beta-D-glucopyranuronic acid, ALPHA-D-GLUCURONIDASE, GLYCEROL, ...
Authors:Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2002-03-21
Release date:2003-03-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
6HEW
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BU of 6hew by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069
Descriptor: 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HF1
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BU of 6hf1 by Molmil
Mutant oxidoreductase fragment of mouse QSOX1 in complex with an antibody Fab
Descriptor: Fab 316 heavy chain, Fab 316 light chain, Sulfhydryl oxidase 1
Authors:Grossman-Haham, I, Fass, D.
Deposit date:2018-08-21
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:cis-Proline mutants of quiescin sulfhydryl oxidase 1 with altered redox properties undermine extracellular matrix integrity and cell adhesion in fibroblast cultures.
Protein Sci., 28, 2019
5BPN
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BU of 5bpn by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD double mutant E268Q+R272K.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-28
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
6HG8
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BU of 6hg8 by Molmil
Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Ambrus, A, Szabo, E, Weichsel, A, Bui, D, Wilk, P, Torocsik, B, Weiss, M.S, Montfort, W.R, Jordan, F, Adam-Vizi, V.
Deposit date:2018-08-22
Release date:2019-09-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
To Be Published
5BRB
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BU of 5brb by Molmil
Crystal structure of Q64E mutant of Triosephosphate isomerase from Plasmodium falciparum
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2015-05-30
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
6HHF
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BU of 6hhf by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
Descriptor: Borussertib, RAC-alpha serine/threonine-protein kinase
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
5BMW
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BU of 5bmw by Molmil
Crystal structure of T75V mutant of Triosephosphate isomerase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2015-05-23
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5BN8
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BU of 5bn8 by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-25
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
1KYT
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BU of 1kyt by Molmil
Crystal Structure of Thermoplasma acidophilum 0175 (APC014)
Descriptor: CALCIUM ION, hypothetical protein TA0175
Authors:Kim, Y, Joachimiak, A, Edwards, A, Xu, X, Pennycooke, M, Gu, J, Cheung, F, Christendat, D, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-02-05
Release date:2003-01-21
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Thermoplasma acidophilum 0175 (APC014)
To be published
6HYM
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BU of 6hym by Molmil
Structure of PCM1 LIR motif bound to GABARAP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pericentriolar material 1 protein,Gamma-aminobutyric acid receptor-associated protein
Authors:Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
Deposit date:2018-10-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
5BT3
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BU of 5bt3 by Molmil
Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
6HZO
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BU of 6hzo by Molmil
Apo structure of TP domain from Haemophilus influenzae Penicillin-Binding Protein 3
Descriptor: FtsI
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-23
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6HZQ
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BU of 6hzq by Molmil
Apo structure of TP domain from Escherichia coli Penicillin-Binding Protein 3
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-23
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
5BU4
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BU of 5bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
Authors:Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
Deposit date:1998-09-15
Release date:1998-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
1KZT
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BU of 1kzt by Molmil
Structure of Human Immunodeficiency Virus Type 1 Vpr(34-51) Peptide in DPC Micelle Containing Aqueous Solution
Descriptor: Vpr PROTEIN
Authors:Engler, A, Stangler, T, Willbold, D.
Deposit date:2002-02-08
Release date:2002-08-28
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure of human immunodeficiency virus type 1 Vpr(34-51) peptide in micelle containing aqueous solution.
Eur.J.Biochem., 269, 2002
1KZZ
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BU of 1kzz by Molmil
DOWNSTREAM REGULATOR TANK BINDS TO THE CD40 RECOGNITION SITE ON TRAF3
Descriptor: TNF receptor associated factor 3, TRAF family member-associated NF-kappa-b activator
Authors:Li, C, Ni, C.-Z, Havert, M.L, Cabezas, E, He, J, Kaiser, D, Reed, J.C, Satterthwait, A.C, Cheng, G, Ely, K.R.
Deposit date:2002-02-08
Release date:2002-04-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Downstream regulator TANK binds to the CD40 recognition site on TRAF3.
Structure, 10, 2002
5BUU
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BU of 5buu by Molmil
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
Descriptor: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
Authors:Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
Deposit date:2015-06-04
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
5BUX
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BU of 5bux by Molmil
Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
Descriptor: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, GLYCEROL, THIOCYANATE ION
Authors:McGillick, B, Kumaran, D, Swaminathan, S.
Deposit date:2015-06-04
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
To be Published
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2018-10-13
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
5B5Z
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BU of 5b5z by Molmil
Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: PtLCIB4 H88A mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6HY3
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BU of 6hy3 by Molmil
Three-dimensional structure of AgaC from Zobellia galactanivorans
Descriptor: 1,2-ETHANEDIOL, Beta-agarase C, GLYCEROL, ...
Authors:Naretto, A, Fanuel, M, Ropartz, D, Rogniaux, H, Larocque, R, Czjzek, M, Tellier, C, Michel, G.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The agar-specific hydrolaseZgAgaC from the marine bacteriumZobellia galactanivoransdefines a new GH16 protein subfamily.
J.Biol.Chem., 294, 2019

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