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6SQT
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Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Rosenbach, H, Span, I.
Deposit date:2019-09-04
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
6SQN
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Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant co-crystallized with RNA
Descriptor: RNA hairpin, U1 small nuclear ribonucleoprotein A
Authors:Rosenbach, H, Span, I.
Deposit date:2019-09-04
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
6SQQ
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Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant in complex with RNA obtained by soaking
Descriptor: MAGNESIUM ION, RNA hairpin, U1 small nuclear ribonucleoprotein A
Authors:Rosenbach, H, Span, I.
Deposit date:2019-09-04
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
1QJC
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Phosphopantetheine Adenylyltransferase from Escherichia coli in complex with 4'-phosphopantetheine
Descriptor: 4'-PHOSPHOPANTETHEINE, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, SULFATE ION
Authors:Izard, T.
Deposit date:1999-06-23
Release date:2001-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:The Crystal Structures of Phosphopantetheine Adenylyltransferase with Bound Substrates Reveal the Enzyme'S Catalytic Mechanism
J.Mol.Biol., 315, 2001
1NLJ
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BU of 1nlj by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
Descriptor: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-07
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
1NL6
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Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
Descriptor: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-06
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
3NBK
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BU of 3nbk by Molmil
Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with 4'-phosphopantetheine
Descriptor: 4'-PHOSPHOPANTETHEINE, NICKEL (II) ION, Phosphopantetheine adenylyltransferase
Authors:Wubben, T.J, Mesecar, A.D.
Deposit date:2010-06-03
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.
J.Mol.Biol., 404, 2010
1TCD
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BU of 1tcd by Molmil
TRYPANOSOMA CRUZI TRIOSEPHOSPHATE ISOMERASE
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Maldonado, E, Soriano-Garcia, M, Cabrera, N, Garza-Ramos, G, Tuena De Gomez-Puyou, M, Gomez-Puyou, A, Perez-Montfort, R.
Deposit date:1998-01-29
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Differences in the intersubunit contacts in triosephosphate isomerase from two closely related pathogenic trypanosomes.
J.Mol.Biol., 283, 1998
1OY0
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BU of 1oy0 by Molmil
The crystal Structure of the First Enzyme of Pantothenate Biosynthetic Pathway, Ketopantoate Hydroxymethyltransferase from Mycobacterium Tuberculosis Shows a Decameric Assembly and Terminal Helix-Swapping
Descriptor: Ketopantoate hydroxymethyltransferase, MAGNESIUM ION
Authors:Chaudhuri, B.N, Sawaya, M.R, Kim, C.Y, Waldo, G.S, Park, M.S, Terwilliger, T.C, Yeates, T.O, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-04-03
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of the First Enzyme in the Pantothenate Biosynthetic Pathway, Ketopantoate Hydroxymethyltransferase, from M. tuberculosis
Structure, 11, 2003
1H1T
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BU of 1h1t by Molmil
PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH Coenzyme A FROM ESCHERICHIA COLI
Descriptor: 4'-PHOSPHOPANTETHEINE, COENZYME A, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, ...
Authors:Izard, T.
Deposit date:2002-07-21
Release date:2003-07-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Novel Adenylate Binding Site Confers Phosphopantetheine Adenylyltransferase Interactions with Coenzyme A
J.Bacteriol., 185, 2003
1GXF
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BU of 1gxf by Molmil
CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH THE INHIBITOR QUINACRINE MUSTARD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALEIC ACID, QUINACRINE MUSTARD, ...
Authors:Bond, C.S, Peterson, M.R, Vickers, T.J, Fairlamb, A.H, Hunter, W.N.
Deposit date:2002-04-04
Release date:2004-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two Interacting Binding Sites for Quinacrine Derivatives in the Active Site of Trypanothione Reductase: A Template for Drug Design
J.Biol.Chem., 279, 2004
1FPV
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BU of 1fpv by Molmil
STRUCTURE DETERMINATION OF FELINE PANLEUKOPENIA VIRUS EMPTY PARTICLES
Descriptor: FELINE PANLEUKOPENIA VIRUS (STRAIN B) VIRAL PROTEIN 2
Authors:Agbandje, M, Rossmann, M.G.
Deposit date:1993-03-04
Release date:1994-01-31
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure determination of feline panleukopenia virus empty particles.
Proteins, 16, 1993
2ON3
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BU of 2on3 by Molmil
A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane
Descriptor: 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase
Authors:Dufe, V.T, Ingner, D, Heby, O, Khomutov, A.R, Persson, L, Al-Karadaghi, S.
Deposit date:2007-01-23
Release date:2007-07-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Biochem.J., 405, 2007
2OO0
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BU of 2oo0 by Molmil
A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane
Descriptor: 3-AMINOOXY-1-AMINOPROPANE, ACETATE ION, Ornithine decarboxylase, ...
Authors:Dufe, V.T, Ingner, D, Khomutov, A.R, Heby, O, Persson, L, Al-Karadaghi, S.
Deposit date:2007-01-25
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Biochem.J., 405, 2007
8GTR
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BU of 8gtr by Molmil
CryoEM structure of human Pannexin isoform 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATIDYLETHANOLAMINE, Pannexin-3
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
7UE3
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BU of 7ue3 by Molmil
PANK3 complex structure with compound PZ-3804
Descriptor: 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE5
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BU of 7ue5 by Molmil
PANK3 complex structure with compound PZ-3741
Descriptor: 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE6
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BU of 7ue6 by Molmil
PANK3 complex structure with compound PZ-3802
Descriptor: 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7F8J
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BU of 7f8j by Molmil
Cryo-EM structure of human pannexin-1 in a nanodisc
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1
Authors:Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A.
Deposit date:2021-07-02
Release date:2022-01-26
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
7F8N
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BU of 7f8n by Molmil
Human pannexin-1 showing a conformational change in the N-terminal domain and blocked pore
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1
Authors:Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A.
Deposit date:2021-07-02
Release date:2022-01-26
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Sci.Signal., 15, 2022
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
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
4XR7
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BU of 4xr7 by Molmil
Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex
Descriptor: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3
Authors:Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E.
Deposit date:2015-01-20
Release date:2015-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.796 Å)
Cite:The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
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
6QU5
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BU of 6qu5 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12
Descriptor: 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021

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