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3AVO
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BU of 3avo by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenate
Descriptor: CITRATE ANION, GLYCEROL, PANTOTHENOIC ACID, ...
Authors:Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M.
Deposit date:2011-03-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
3AVQ
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BU of 3avq by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with N9-Pan
Descriptor: (2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide, CITRATE ANION, GLYCEROL, ...
Authors:Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M.
Deposit date:2011-03-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
3AVP
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BU of 3avp by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol
Descriptor: (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, CITRATE ANION, GLYCEROL, ...
Authors:Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M.
Deposit date:2011-03-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action
Acta Crystallogr.,Sect.D, 67, 2011
3B3I
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BU of 3b3i by Molmil
Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2007-10-22
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes.
J.Biol.Chem., 283, 2008
5AEW
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BU of 5aew by Molmil
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 in complex with biphenyl
Descriptor: BIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
Authors:Dhindwal, S, Gomez-Gil, L, Sylvestre, M, Eltis, L.D, Bolin, J.T, Kumar, P.
Deposit date:2015-01-10
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of the Enhanced Pollutant-Degrading Capabilities of an Engineered Biphenyl Dioxygenase.
J.Bacteriol., 198, 2016
7CFE
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BU of 7cfe by Molmil
Crystal structure of RsmG methyltransferase of M. tuberculosis
Descriptor: ISOPROPYL ALCOHOL, PHOSPHATE ION, Ribosomal RNA small subunit methyltransferase G, ...
Authors:Bijpuria, S, Maurya, A, Kumar, P, Sharma, R, Taneja, B.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of RsmG methyltransferase of M. tuberculosis
To Be Published
7DOA
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BU of 7doa by Molmil
Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catabolite repressor/activator, GLYCEROL
Authors:Neetu, N, Katiki, M, Kumar, P.
Deposit date:2020-12-13
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES
To Be Published
7DOB
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BU of 7dob by Molmil
Crystal structure of Catabolite repressor activator (Apo)
Descriptor: 1,2-ETHANEDIOL, Catabolite repressor/activator, MAGNESIUM ION, ...
Authors:Neetu, N, Katiki, M, Kumar, P.
Deposit date:2020-12-13
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Catabolite repressor activator (Apo)
To Be Published
5Z35
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BU of 5z35 by Molmil
Structure of Y68F mutant metal free periplasmic metal binding protein from candidatus liberibacter asiaticus
Descriptor: ACETATE ION, GLYCEROL, Periplasmic solute binding protein, ...
Authors:Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
Deposit date:2018-01-05
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
5ZHA
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BU of 5zha by Molmil
Structure of Y68F mutant Mn-Bound periplasmic metal binding protein from candidatus liberibacter asiaticus
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
Deposit date:2018-03-12
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
5Z2J
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BU of 5z2j by Molmil
structure of S38A mutant metal-free periplasmic metal binding protein from candidatus liberibacter asiaticus
Descriptor: ACETATE ION, GLYCEROL, Periplasmic solute binding protein, ...
Authors:Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
Deposit date:2018-01-02
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
5Z2K
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BU of 5z2k by Molmil
Structure of S38A mutant Mn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
Deposit date:2018-01-02
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
7FJL
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BU of 7fjl by Molmil
Crystal Structure of phthalate dioxygenase from Comamonas testosteroni KF1
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
2G88
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BU of 2g88 by Molmil
MSRECA-dATP COMPLEX
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ...
Authors:Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2006-03-02
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery.
Nucleic Acids Res., 34, 2006
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2O
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BU of 5w2o by Molmil
Crystal structure of Mycobacterium tuberculosis KasA
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2S
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BU of 5w2s by Molmil
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7O4O
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BU of 7o4o by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylhomocysteine
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7O4N
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BU of 7o4n by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylmethionine
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7O4M
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BU of 7o4m by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase
Descriptor: CITRIC ACID, GLYCEROL, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
Descriptor: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor
Authors:Larsen, N.A.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
6CHW
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BU of 6chw by Molmil
Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942.
Descriptor: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ...
Authors:Larsen, N.A.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
8GU1
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BU of 8gu1 by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Pimozide
Descriptor: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Putative amino acid-binding periplasmic ABC transporter protein
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-09
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
8GTU
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BU of 8gtu by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Clidinium
Descriptor: Putative amino acid-binding periplasmic ABC transporter protein, [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-08
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023

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