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6BC2
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BU of 6bc2 by Molmil
Cryo X-ray structure of acetylsisomicin bound AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION, acetylsisomicin
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC7
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BU of 6bc7 by Molmil
Cryo X-ray structure of sisomicin bound AAC-VIa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, ACETATE ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC6
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BU of 6bc6 by Molmil
Cryo X-ray structure of apo AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC3
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BU of 6bc3 by Molmil
Cryo X-ray structure of sisomicin bound AAC-VIa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, COENZYME A
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC5
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BU of 6bc5 by Molmil
Cryo X-ray structure of coenzyme A bound AAC-VIa
Descriptor: AAC 3-VI protein, COENZYME A
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
7SSX
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BU of 7ssx by Molmil
Structure of human Kv1.3
Descriptor: POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSZ
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BU of 7ssz by Molmil
Structure of human Kv1.3 with A0194009G09 nanobodies
Descriptor: Nanobody A0194009G09, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSY
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BU of 7ssy by Molmil
Structure of human Kv1.3 (alternate conformation)
Descriptor: POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSV
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BU of 7ssv by Molmil
Structure of human Kv1.3 with Fab-ShK fusion
Descriptor: Fab-ShK fusion, heavy chain, light chain, ...
Authors:Meyerson, J.R, Selvakumar, P, Smider, V, Huang, R.
Deposit date:2021-11-11
Release date:2022-06-29
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
8DFL
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BU of 8dfl by Molmil
Structure of human Kv1.3 with A0194009G09 nanobodies (alternate conformation)
Descriptor: Nanobody A0194009G09, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2022-06-22
Release date:2022-07-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX2
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BU of 8ex2 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
7LVT
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BU of 7lvt by Molmil
Structure of full-length GluK1 with L-Glu
Descriptor: Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-02-26
Release date:2021-11-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural and compositional diversity in the kainate receptor family.
Cell Rep, 37, 2021
4HB9
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BU of 4hb9 by Molmil
Crystal structure of a putative FAD containing monooxygenase from Photorhabdus luminescens subsp. laumondii TTO1 (Target PSI-012791)
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Similarities with probable monooxygenase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-09-27
Release date:2012-10-17
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Stilbene epoxidation and detoxification in a Photorhabdus luminescens -nematode symbiosis.
J.Biol.Chem., 292, 2017
5XLV
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BU of 5xlv by Molmil
Mycobacterium tuberculosis Pantothenate kinase mutant F254A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ...
Authors:Paul, A, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2017-05-11
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
4CL2
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BU of 4cl2 by Molmil
structure of periplasmic metal binding protein from candidatus liberibacter asiaticus
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Sharma, N, Selvakumar, P, Bhose, S, Ghosh, D.K, Kumar, P, Sharma, A.K.
Deposit date:2014-01-11
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of a Periplasmic Solute Binding Protein in Metal-Free, Intermediate and Metal-Bound States from Candidatus Liberibacter Asiaticus.
J.Struct.Biol., 189, 2015
4U4M
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BU of 4u4m by Molmil
Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
Descriptor: 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ...
Authors:Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-07-24
Release date:2015-07-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
To be published
4U2A
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BU of 4u2a by Molmil
Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2014-07-16
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
7F44
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BU of 7f44 by Molmil
Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with the cofactor NAD
Descriptor: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Katiki, M, Neetu, N, Pratap, S, Kumar, P.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
5JXX
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BU of 5jxx by Molmil
Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4.
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CITRATE ANION, GLYCEROL
Authors:Pratap, S, Kesari, P, Yadav, R, Narwal, M, Dev, A, Kumar, P.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies.
Int. J. Biol. Macromol., 96, 2017
7FC8
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BU of 7fc8 by Molmil
Crystal structure of the Apo enoyl-ACP-reductase (FabI) from Moraxella catarrhalis
Descriptor: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Katiki, M, Pratap, S, Kumar, P.
Deposit date:2021-07-14
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
7FCM
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BU of 7fcm by Molmil
Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with NAD and Triclosan
Descriptor: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Katiki, M, Neetu, N, Pratap, S, Kumar, P.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
1LJY
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BU of 1ljy by Molmil
Crystal Structure of a Novel Regulatory 40 kDa Mammary Gland Protein (MGP-40) secreted during Involution
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MGP-40
Authors:Mohanty, A.K, Singh, G, Paramasivam, M, Saravanan, K, Jabeen, T, Sharma, S, Yadav, S, Kaur, P, Kumar, P, Srinivasan, A, Singh, T.P.
Deposit date:2002-04-23
Release date:2003-03-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of a Novel Regulatory 40 kDa Mammary Gland Protein (MGP-40) secreted during Involution
J.Biol.Chem., 278, 2003
4UM5
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BU of 4um5 by Molmil
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, ...
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015

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數據於2025-07-09公開中

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