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6UKJ
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BU of 6ukj by Molmil
Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform
Descriptor: CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ...
Authors:Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F.
Deposit date:2019-10-05
Release date:2019-12-04
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and drug resistance of the Plasmodium falciparum transporter PfCRT.
Nature, 576, 2019
8U0Q
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BU of 8u0q by Molmil
Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A.
Deposit date:2023-08-29
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
4AKS
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BU of 4aks by Molmil
PatG macrocyclase domain
Descriptor: THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
Authors:Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2012-02-28
Release date:2012-07-18
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
3ZXY
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BU of 3zxy by Molmil
Structure of S218A mutant of the protease domain of PatA
Descriptor: SUBTILISIN-LIKE PROTEIN
Authors:Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
Deposit date:2011-08-16
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
3ZXX
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BU of 3zxx by Molmil
Structure of self-cleaved protease domain of PatA
Descriptor: SUBTILISIN-LIKE PROTEIN
Authors:Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
Deposit date:2011-08-16
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
4AKT
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BU of 4akt by Molmil
PatG macrocyclase in complex with peptide
Descriptor: SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
Authors:Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2012-02-28
Release date:2012-07-18
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
4NQQ
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BU of 4nqq by Molmil
Crystal structure of mouse P-cadherin extracellular domains EC1-EC2
Descriptor: CALCIUM ION, COPPER (II) ION, Cadherin-3
Authors:Brasch, J, Shapiro, L.
Deposit date:2013-11-25
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NUM
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BU of 4num by Molmil
Crystal structure of mouse N-cadherin EC1-2 A78SI92M
Descriptor: CALCIUM ION, Cadherin-2
Authors:Jin, X.
Deposit date:2013-12-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NUQ
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BU of 4nuq by Molmil
Crystal structure of mouse N-cadherin EC1-2 W2F
Descriptor: CALCIUM ION, Cadherin-2
Authors:Jin, X.
Deposit date:2013-12-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.116 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NUP
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BU of 4nup by Molmil
Crystal structure of mouse N-cadherin EC1-2 with AA insertion between residues 2 and 3
Descriptor: CALCIUM ION, N-CADHERIN EC1-2
Authors:Jin, X.
Deposit date:2013-12-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
3QRB
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BU of 3qrb by Molmil
crystal structure of E-cadherin EC1-2 P5A P6A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-1, ...
Authors:Jin, X, Shapiro, L.
Deposit date:2011-02-17
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular design principles underlying beta-strand swapping in the adhesive dimerization of cadherins.
Nat.Struct.Mol.Biol., 18, 2011
6WNK
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BU of 6wnk by Molmil
Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome
Descriptor: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ...
Authors:Hsu, H.C, Li, H.
Deposit date:2020-04-22
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J.Med.Chem., 64, 2021
3UBG
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BU of 3ubg by Molmil
Crystal structure of Drosophila N-cadherin EC1-3, II
Descriptor: CALCIUM ION, Neural-cadherin, ZINC ION
Authors:Jin, X, Walker, M.A, Shapiro, L.
Deposit date:2011-10-24
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Crystal structures of Drosophila N-cadherin ectodomain regions reveal a widely used class of Ca2+-free interdomain linkers.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FMK
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BU of 4fmk by Molmil
Crystal structure of mouse nectin-2 extracellular fragment D1-D2
Descriptor: CADMIUM ION, Poliovirus receptor-related protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2012-06-17
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FQP
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BU of 4fqp by Molmil
Crystal structure of human Nectin-like 5 full ectodomain (D1-D3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, ...
Authors:Harrison, O.J, Jin, X, Brasch, J, Shapiro, L.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FOM
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BU of 4fom by Molmil
Crystal structure of human nectin-3 full ectodomain (D1-D3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 3, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harrison, O.J, Jin, X, Brasch, J, Shapiro, L.
Deposit date:2012-06-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.93 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
5XUR
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BU of 5xur by Molmil
Crystal Structure of Rv2466c C22S Mutant
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin-like reductase Rv2466c
Authors:Zhang, X, Li, H.
Deposit date:2017-06-25
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
5LHK
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BU of 5lhk by Molmil
Bottromycin maturation enzyme BotP in complex with Mn
Descriptor: BICARBONATE ION, Leucine aminopeptidase 2, chloroplastic, ...
Authors:Koehnke, J, Adam, S.
Deposit date:2016-07-12
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
5LHJ
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BU of 5lhj by Molmil
Bottromycin maturation enzyme BotP
Descriptor: CHLORIDE ION, GLYCEROL, Leucine aminopeptidase 2, ...
Authors:Koehnke, J, Mann, G.
Deposit date:2016-07-12
Release date:2016-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-14
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
4FMF
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BU of 4fmf by Molmil
Crystal structure of human nectin-1 full ectodomain (D1-D3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, Poliovirus receptor-related protein 1
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2012-06-16
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FRW
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BU of 4frw by Molmil
Crystal structure of human nectin-4 extracellular fragment D1-D2
Descriptor: Poliovirus receptor-related protein 4
Authors:Harrison, O.J, Jin, X, Brasch, J, Shapiro, L.
Deposit date:2012-06-26
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FS0
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BU of 4fs0 by Molmil
Crystal structure of mutant F136D of mouse nectin-2 extracellular fragment D1-D2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 2, SULFATE ION
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2012-06-26
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012

 

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