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8QRY
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BU of 8qry by Molmil
Crystal structure of the yeast spindle body component Spc98
Descriptor: Spindle pole body component
Authors:Bellini, D, Yatskevich, S, Barford, D.
Deposit date:2023-10-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of the yeast spindle body component Spc98
To Be Published
5FD6
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BU of 5fd6 by Molmil
zinc-bound manganese uptake regulator
Descriptor: Ferric uptake regulation protein, GLYCEROL, SULFATE ION, ...
Authors:Bellini, D, Hemmings, A.M, Walsh, M.A.
Deposit date:2015-12-15
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:structure of a zinc-bound manganese uptake regulator, mur
To Be Published
7B67
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BU of 7b67 by Molmil
Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755
Descriptor: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ...
Authors:Rehling, D, Stenmark, P.
Deposit date:2020-12-07
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
7B65
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BU of 7b65 by Molmil
Structure of NUDT15 R139C Mutant in complex with TH7755
Descriptor: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15
Authors:Rehling, D, Stenmark, P.
Deposit date:2020-12-07
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
7B63
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BU of 7b63 by Molmil
Structure of NUDT15 in complex with TH7755
Descriptor: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
Authors:Rehling, D, Stenmark, P.
Deposit date:2020-12-07
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
7B66
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BU of 7b66 by Molmil
Structure of NUDT15 R139H Mutant in complex with TH7755
Descriptor: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15
Authors:Rehling, D, Stenmark, P.
Deposit date:2020-12-07
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
7B64
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BU of 7b64 by Molmil
Structure of NUDT15 V18I Mutant in complex with TH7755
Descriptor: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15
Authors:Rehling, D, Stenmark, P.
Deposit date:2020-12-07
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
6HZH
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BU of 6hzh by Molmil
Apo structure of TP domain from Chlamydia trachomatis penicillin-binding protein 3
Descriptor: Penicillin-binding protein
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 (1.83 Å)
Cite:Apo structure of TP domain from Chlamydia trachomatis penicillin-binding protein 3
To Be Published
6I1I
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BU of 6i1i by Molmil
Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin
Descriptor: Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 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
6I1F
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BU of 6i1f by Molmil
Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with amoxicillin
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Penicillin-binding protein,Penicillin-binding protein
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with amoxicillin
To Be Published
6I1G
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BU of 6i1g by Molmil
Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with piperacillin
Descriptor: Penicillin-binding protein,Penicillin-binding protein, Piperacillin (Open Form)
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with piperacillin
To Be Published
6I1H
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BU of 6i1h by Molmil
Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein,Penicillin-binding protein
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
To Be Published
6I1E
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BU of 6i1e by Molmil
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 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
1IG6
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BU of 1ig6 by Molmil
HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
Descriptor: MODULATOR RECOGNITION FACTOR 2
Authors:Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y.
Deposit date:2001-04-17
Release date:2001-04-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
To be Published
4WIH
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BU of 4wih by Molmil
Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
Descriptor: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
Deposit date:2014-09-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
4QE8
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BU of 4qe8 by Molmil
FXR with DM175 and NCoA-2 peptide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ...
Authors:Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H.
Deposit date:2014-05-15
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:FXR with DM175 and NCoA-2 peptide
To be Published
8CR7
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BU of 8cr7 by Molmil
Crystal structure of recombinant LasB from Pseudomonas aeruginosa PA7
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
8CR3
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BU of 8cr3 by Molmil
Crystal structure of recombinant LasB from Pseudomonas aeruginosa PAO1
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
8CR4
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BU of 8cr4 by Molmil
Crystal structure of recombinant LasBArtif from Pseudomonas aeruginosa AZPAE14816
Descriptor: CALCIUM ION, Pro-elastase, ZINC ION
Authors:Kolling, D, Koehnke, J.
Deposit date:2023-03-07
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
Chembiochem, 24, 2023
7AT5
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BU of 7at5 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-29
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7ATV
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BU of 7atv by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-31
Release date:2021-08-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7AT9
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BU of 7at9 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-29
Release date:2021-08-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7AIL
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BU of 7ail by Molmil
Ribonucleotide Reductase R2m protein from Aquifex aeolicus
Descriptor: FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta
Authors:Rehling, D, Scaletti, E.R, Stenmark, P.
Deposit date:2020-09-27
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7AGJ
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BU of 7agj by Molmil
Ribonucleotide Reductase R1 protein from Aquifex aeolicus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Rehling, D, Scaletti, E.R, Stenmark, P.
Deposit date:2020-09-22
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7AIK
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BU of 7aik by Molmil
Ribonucleotide Reductase R2 protein from Aquifex aeolicus
Descriptor: FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta
Authors:Rehling, D, Scaletti, E.R, Stenmark, P.
Deposit date:2020-09-27
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022

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PDB entries from 2024-09-18

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