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1INH
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BU of 1inh by Molmil
INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA111 INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1995-07-07
Release date:1996-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.
J.Med.Chem., 38, 1995
1ING
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BU of 1ing by Molmil
INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA109 INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1995-07-07
Release date:1996-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.
J.Med.Chem., 38, 1995
4ZWV
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BU of 4zwv by Molmil
Crystal Structure of Aminotransferase AtmS13 from Actinomadura melliaura
Descriptor: GLYCEROL, Putative aminotransferase
Authors:Kim, Y, Bigelow, L, Endres, M, Wang, F, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-05-19
Release date:2015-06-03
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
5XNG
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BU of 5xng by Molmil
EFK17A structure in Microgel MAA60
Descriptor: Cathelicidin antimicrobial peptide
Authors:Datta, A, Bhunia, A.
Deposit date:2017-05-22
Release date:2018-04-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
5XRX
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BU of 5xrx by Molmil
EFK17DA structure in Microgel MAA60
Descriptor: Cathelicidin antimicrobial peptide
Authors:Datta, A, Bhunia, A.
Deposit date:2017-06-10
Release date:2018-04-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
1NPY
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BU of 1npy by Molmil
Structure of shikimate 5-dehydrogenase-like protein HI0607
Descriptor: ACETYL GROUP, Hypothetical shikimate 5-dehydrogenase-like protein HI0607
Authors:Korolev, S, Koroleva, O, Zarembinski, T, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-01-20
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of a Novel Shikimate Dehydrogenase from Haemophilus influenzae.
J.Biol.Chem., 280, 2005
2NCU
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BU of 2ncu by Molmil
NMR structure of KYE21 in LPS micelles
Descriptor: Heparin cofactor 2
Authors:Datta, A, Bhunia, A, Malmsten, M.
Deposit date:2016-04-18
Release date:2017-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects.
Sci Rep, 7, 2017
2NCW
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BU of 2ncw by Molmil
NMR structure of WWWKYE21 structure in LPS micelles
Descriptor: Heparin cofactor 2
Authors:Datta, A, Bhunia, A.
Deposit date:2016-04-18
Release date:2017-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects.
Sci Rep, 7, 2017
4J2N
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BU of 4j2n by Molmil
Crystal Structure of mycobacteriophage Pukovnik Xis
Descriptor: Gp37, SULFATE ION
Authors:Homa, N.J, Amrich, C.G, Heroux, A, VanDemark, A.P.
Deposit date:2013-02-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.348 Å)
Cite:The Structure of Xis Reveals the Basis for Filament Formation and Insight into DNA Bending within a Mycobacteriophage Intasome.
J.Mol.Biol., 426, 2014
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
8BWU
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BU of 8bwu by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION
Authors:Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M.
Deposit date:2022-12-07
Release date:2023-10-11
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
8SZX
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BU of 8szx by Molmil
Crystal structure of b'-WD40 Lys17Ala mutant
Descriptor: Coatomer subunit beta'
Authors:Dey, D, Hasan, S.S.
Deposit date:2023-05-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
6WIT
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BU of 6wit by Molmil
Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold
Descriptor: 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ...
Authors:Liban, T, Aljedani, S, Rodarte, J, Pancera, M.
Deposit date:2020-04-10
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7Z0X
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BU of 7z0x by Molmil
THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
6WRP
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BU of 6wrp by Molmil
Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Weidle, C, Pancera, M.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Protective antibodies against human parainfluenza virus type 3 infection.
Mabs, 13, 2021
8D1B
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BU of 8d1b by Molmil
CryoEM structure of human orphan GPCR GPR179 in complex with extracellular matrix protein pikachurin
Descriptor: Pikachurin, Probable G-protein coupled receptor 179
Authors:Patil, D.N, Martemyanov, K.A.
Deposit date:2022-05-27
Release date:2023-07-26
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
1IVD
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BU of 1ivd by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
1IVE
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BU of 1ive by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
7WVL
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BU of 7wvl by Molmil
Structure of P4A2 Fab in complex with Spike-RBD from SARS-CoV-2
Descriptor: P4A2 Fab Light Chain, P4A2 Fab heavy chain, Spike protein S1
Authors:Narayanan, N, Nair, D.T.
Deposit date:2022-02-10
Release date:2022-12-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:A broadly neutralizing monoclonal antibody overcomes the mutational landscape of emerging SARS-CoV-2 variants of concern.
Plos Pathog., 18, 2022
7ZC9
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BU of 7zc9 by Molmil
Human Pikachurin/EGFLAM C-terminal Laminin-G domain (LG3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pikachurin, SULFATE ION
Authors:Pantalone, S, Forneris, F.
Deposit date:2022-03-26
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
7ZCB
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BU of 7zcb by Molmil
Human Pikachurin/EGFLAM N-terminal Fibronectin-III (1-2) domains
Descriptor: CHLORIDE ION, Pikachurin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Pantalone, S, Savino, S, Viti, L.V, Forneris, F.
Deposit date:2022-03-26
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
5KVH
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BU of 5kvh by Molmil
Crystal structure of human apoptosis-inducing factor with W196A mutation
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.273 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
5KVI
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BU of 5kvi by Molmil
Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ...
Authors:Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
1IVC
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BU of 1ivc by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995

223790

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