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3OBT
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BU of 3obt by Molmil
Crystal structure of Botulinum neurotoxin serotype D ligand binding domain in complex with N-Acetylneuraminic acid
Descriptor: Botulinum neurotoxin type D, GLYCEROL, N-acetyl-beta-neuraminic acid
Authors:Lee, K.K, Zong, Y, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
3OBR
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BU of 3obr by Molmil
Crystal structure of Botulinum neurotoxin serotype D binding domain
Descriptor: Botulinum neurotoxin type D, GLYCEROL
Authors:Zong, Y, Lee, K.K, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
7XHY
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BU of 7xhy by Molmil
Crystal structure of MerTK Kinase domain with BMS794833
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Tyrosine-protein kinase Mer, ...
Authors:Kim, J.H, Lee, B.I.
Deposit date:2022-04-11
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity.
Exp.Mol.Med., 54, 2022
6PTS
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BU of 6pts by Molmil
NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B.
Deposit date:2019-07-16
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PTW
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BU of 6ptw by Molmil
NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B.
Deposit date:2019-07-16
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NDL
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BU of 6ndl by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor
Descriptor: 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL
Authors:Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K.
Deposit date:2018-12-13
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
3HQ0
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BU of 3hq0 by Molmil
Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas in complex with a product
Descriptor: (2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, Catechol 2,3-dioxygenase, FE (III) ION
Authors:Cho, J.-H, Rhee, S.
Deposit date:2009-06-05
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and functional analysis of the extradiol dioxygenase LapB from a long-chain alkylphenol degradation pathway in Pseudomonas
J.Biol.Chem., 284, 2009
3HPV
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BU of 3hpv by Molmil
Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas sp. KL28
Descriptor: Catechol 2,3-dioxygenase, FE (II) ION
Authors:Cho, J.-H, Rhee, S.
Deposit date:2009-06-05
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and functional analysis of the extradiol dioxygenase LapB from a long-chain alkylphenol degradation pathway in Pseudomonas
J.Biol.Chem., 284, 2009
3HPY
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BU of 3hpy by Molmil
Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas in the complex with 4-methylcatechol
Descriptor: 4-METHYLCATECHOL, Catechol 2,3-dioxygenase, FE (III) ION
Authors:Cho, J.-H, Rhee, S.
Deposit date:2009-06-05
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure and functional analysis of the extradiol dioxygenase LapB from a long-chain alkylphenol degradation pathway in Pseudomonas
J.Biol.Chem., 284, 2009
2N8N
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BU of 2n8n by Molmil
Solution structure of translation initiation factor
Descriptor: Translation initiation factor IF-1
Authors:Kim, D, Lee, K, Lee, B.
Deposit date:2015-10-21
Release date:2016-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and dynamics study of translation initiation factor 1 from Staphylococcus aureus suggests its RNA binding mode
Biochim.Biophys.Acta, 1865, 2017
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Descriptor: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
2K6P
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BU of 2k6p by Molmil
Solution Structure of hypothetical protein, HP1423
Descriptor: Uncharacterized protein HP_1423
Authors:Kim, J, Park, S, Lee, K, Son, W, Sohn, N, Lee, B.
Deposit date:2008-07-15
Release date:2009-06-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of hypothetical protein HP1423 (Y1423_HELPY) reveals the presence of alphaL motif related to RNA binding
Proteins, 75, 2009
4C0O
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BU of 4c0o by Molmil
Transportin 3 in complex with phosphorylated ASF/SF2
Descriptor: POTASSIUM ION, SERINE/ARGININE-RICH SPLICING FACTOR 1, TRANSPORTIN-3
Authors:Maertens, G.N, Cook, N.J, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.557 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
1NDO
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BU of 1ndo by Molmil
NAPHTHALENE 1,2-DIOXYGENASE
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, NAPHTHALENE 1,2-DIOXYGENASE
Authors:Ramaswamy, S, Kauppi, B, Carredano, E.
Deposit date:1998-01-11
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of an aromatic-ring-hydroxylating dioxygenase-naphthalene 1,2-dioxygenase.
Structure, 6, 1998
4C0Q
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BU of 4c0q by Molmil
Transportin 3 in complex with Ran(Q69L)GTP
Descriptor: GTP-BINDING NUCLEAR PROTEIN RAN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Maertens, G, Hare, S, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4B4N
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BU of 4b4n by Molmil
CPSF6 defines a conserved capsid interface that modulates HIV-1 replication
Descriptor: CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6, GAG PROTEIN
Authors:Price, A.J, James, L.C.
Deposit date:2012-07-31
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Cpsf6 Defines a Conserved Capsid Interface that Modulates HIV-1 Replication.
Plos Pathog., 8, 2012
3ZYU
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BU of 3zyu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A)
Descriptor: 1,2-ETHANEDIOL, 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C.W, Mirguet, O.
Deposit date:2011-08-25
Release date:2011-11-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Bet Recruitment to Chromatin as an Effective Treatment for Mll-Fusion Leukaemia.
Nature, 478, 2011
4DK1
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BU of 4dk1 by Molmil
Crystal Structure of MacA-MexA chimeric protein, containing the Pseudomonas aeruginosa MexA alpha-hairpin domain.
Descriptor: Putative MacA, Multidrug resistance protein mexA
Authors:Xu, Y, Ha, N.C.
Deposit date:2012-02-03
Release date:2012-03-07
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (3.499 Å)
Cite:Assembly and channel opening of outer membrane protein in tripartite drug efflux pumps of Gram-negative bacteria.
J.Biol.Chem., 287, 2012
4DK0
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BU of 4dk0 by Molmil
Crystal structure of MacA from Actinobacillus actinomycetemcomitans
Descriptor: Putative MacA
Authors:Xu, Y, Piao, S, Ha, N.C.
Deposit date:2012-02-03
Release date:2012-03-07
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Assembly and channel opening of outer membrane protein in tripartite drug efflux pumps of Gram-negative bacteria.
J.Biol.Chem., 287, 2012
3V65
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BU of 3v65 by Molmil
Crystal structure of agrin and LRP4 complex
Descriptor: Agrin, CALCIUM ION, Low-density lipoprotein receptor-related protein 4
Authors:Zong, Y, Jin, R.
Deposit date:2011-12-18
Release date:2012-04-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of agrin-LRP4-MuSK signaling.
Genes Dev., 26, 2012
4C0P
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BU of 4c0p by Molmil
Unliganded Transportin 3
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TRANSPORTIN-3
Authors:Maertens, G.N, Cook, N.J, Hare, S, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4KSR
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BU of 4ksr by Molmil
Crystal Structure of the Vibrio cholerae ATPase GspE Hexamer
Descriptor: Type II secretion system protein E, Hemolysin-coregulated protein
Authors:Hol, W.G, Turley, S, Lu, C.Y, Park, Y.J, Marionni, S.T, Lee, K, Patrick, M, Sandkvist, M, Bush, M, Shah, R.
Deposit date:2013-05-17
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Hexamers of the Type II Secretion ATPase GspE from Vibrio cholerae with Increased ATPase Activity.
Structure, 21, 2013
4YJ4
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BU of 4yj4 by Molmil
Crystal structure of Bcl-xL in complex with the BIM BH3 domain containing Ile155-to-Arg and Glu158-to-phosphoserine mutations
Descriptor: ACETATE ION, Bcl-2-like protein 1, BIM BH3 domain, ...
Authors:Ku, B, Ha, N.-C, Oh, B.-H.
Deposit date:2015-03-03
Release date:2015-07-29
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conversion of cell-survival activity of Akt into apoptotic death of cancer cells by two mutations on the BIM BH3 domain.
Cell Death Dis, 6, 2015
4Z85
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BU of 4z85 by Molmil
Crystal structur of Pseudomonas fluorescens 2-nitrobenzoate 2-nitroreductase NbaA
Descriptor: 2-nitrobenzoate nitroreductase
Authors:Ha, N.C, Jiao, L, Kim, J.S.
Deposit date:2015-04-08
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Mechanistic Insights into the Pseudomonas fluorescens 2-Nitrobenzoate 2-Nitroreductase NbaA
Appl.Environ.Microbiol., 81, 2015
3M6C
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BU of 3m6c by Molmil
Crystal structure of Mycobacterium tuberculosis GroEL1 apical domain
Descriptor: 60 kDa chaperonin 1
Authors:Tsai, F.T.F, Sielaff, B, Lee, K.
Deposit date:2010-03-15
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional conservation of Mycobacterium tuberculosis GroEL paralogs suggests that GroEL1 Is a chaperonin.
J.Mol.Biol., 405, 2011

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