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8H1W
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BU of 8h1w by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum
Descriptor: 1,2-ETHANEDIOL, Serine palmitoyltransferase
Authors:Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
8H1Q
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Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with L-serine
Descriptor: 1,2-ETHANEDIOL, Serine palmitoyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-10-03
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
7O58
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BU of 7o58 by Molmil
Human phosphomannomutase 2 (PMM2) with mutation T237M in complex with the activator glucose 1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-04-08
Release date:2022-02-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O4G
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BU of 7o4g by Molmil
Human phosphomannomutase 2 (PMM2) wild-type soaked with the activator glucose 1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-04-06
Release date:2022-02-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
8QV9
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BU of 8qv9 by Molmil
Hexameric HIV-1 CA in complex with DDD01829021
Descriptor: 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-17
Release date:2024-03-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
6VKE
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BU of 6vke by Molmil
Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile, CHLORIDE ION, ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
6VKV
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Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2020-01-22
Release date:2020-10-21
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
8QD3
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BU of 8qd3 by Molmil
Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
Descriptor: 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
7R73
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BU of 7r73 by Molmil
Crystal structure of llama VHH antibody D7 in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, Llama antibody D7
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-06-24
Release date:2022-03-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for llama nanobody recognition and neutralization of HIV-1 at the CD4-binding site.
Structure, 30, 2022
6XQI
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BU of 6xqi by Molmil
Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Descriptor: ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ...
Authors:Calero, G.C, Wu, Y, Weiss, S.C.
Deposit date:2020-07-09
Release date:2021-08-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
7LOH
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BU of 7loh by Molmil
Structure of the HIV-1 gp41 transmembrane domain and cytoplasmic tail
Descriptor: Transmembrane protein gp41
Authors:Piai, A, Fu, Q, Sharp, A.K, Bighi, B, Brown, A.M, Chou, J.J.
Deposit date:2021-02-10
Release date:2021-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Model of the Entire Membrane-Interacting Region of the HIV-1 Fusion Protein and Its Perturbation of Membrane Morphology.
J.Am.Chem.Soc., 143, 2021
8E4H
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BU of 8e4h by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-18
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E3R
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BU of 8e3r by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-17
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EK3
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BU of 8ek3 by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAGCGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-19
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EKV
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BU of 8ekv by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGATGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*TP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*AP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8ENG
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BU of 8eng by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (forward strand)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*G*(5CM)P*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E3K
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BU of 8e3k by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-17
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
6Y23
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BU of 6y23 by Molmil
DDR1 kinase autoinhibited by its juxtamembrane region
Descriptor: Epithelial discoidin domain-containing receptor 1, SULFATE ION
Authors:Sammon, D, Hohenester, E, Leitinger, B.
Deposit date:2020-02-14
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Two-step release of kinase autoinhibition in discoidin domain receptor 1.
Proc.Natl.Acad.Sci.USA, 117, 2020
8EKZ
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BU of 8ekz by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGGAGAAGTAGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*GP*AP*GP*AP*AP*GP*TP*AP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*AP*CP*TP*TP*CP*TP*CP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EMD
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BU of 8emd by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8E5Y
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BU of 8e5y by Molmil
Human PU.1 ETS-Domain Bound to d(AATAAGCGGAAGTGGG) Acetate Free at pH 5.4
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EE9
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BU of 8ee9 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
6GPJ
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BU of 6gpj by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4F-Man
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, GDP-mannose 4,6 dehydratase, ...
Authors:Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2018-06-06
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
8EK8
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BU of 8ek8 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAGAAGGG)
Descriptor: DNA (5'-D(*AP*TP*AP*AP*AP*AP*GP*GP*AP*GP*AP*AP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*TP*TP*CP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-20
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
9C7L
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BU of 9c7l by Molmil
Crystal structure of pentalenene synthase variant F76A complexed with 2-fluorofarnesyl diphosphate
Descriptor: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, MAGNESIUM ION, Pentalenene synthase
Authors:Prem Kumar, R, Ellenburg, W.H, Oprian, D.D.
Deposit date:2024-06-10
Release date:2024-11-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Caryolan-1-ol Synthase, a Sesquiterpene Synthase Catalyzing an Initial Anti-Markovnikov Cyclization Reaction.
Biochemistry, 63, 2024

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