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6LP1
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BU of 6lp1 by Molmil
Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei.
Descriptor: CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase
Authors:Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K.
Deposit date:2020-01-08
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei.
Biochim Biophys Acta Bioenerg, 1861, 2020
7DNE
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BU of 7dne by Molmil
DARPin 5m3_D12 in complex with V3-IY (MN) crown mimetic
Descriptor: DARPin 5m3_D12, V3-IY (MN) crown mimetic peptide
Authors:Wu, Y, Plueckthun, A.
Deposit date:2020-12-09
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
1IPS
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BU of 1ips by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)
Descriptor: ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION
Authors:Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E.
Deposit date:1997-03-21
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Nature, 375, 1995
8CO6
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BU of 8co6 by Molmil
Subtomogram average of Immature Rotavirus TLP penton
Descriptor: Inner capsid protein VP2, Intermediate capsid protein VP6, Outer capsid glycoprotein VP7, ...
Authors:Shah, P.N.M, Stuart, D.I.
Deposit date:2023-02-27
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
6RCI
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BU of 6rci by Molmil
Crystal structure of REXO2
Descriptor: Oligoribonuclease, mitochondrial
Authors:Spahr, H, Nicholls, T.J, Larsson, N.G, Gustafsson, C.M.
Deposit date:2019-04-11
Release date:2019-10-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria.
Mol.Cell, 76, 2019
8CK3
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BU of 8ck3 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ...
Authors:Musil, D, Lehmannn, M, Diehl, L.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8C66
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BU of 8c66 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
Descriptor: Phenolic acid decarboxylase N55, SULFATE ION
Authors:Schruefer, A, Mokos, D, Gruber, K, Daniel, B.
Deposit date:2023-01-11
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reconstructed ancestral sequence of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Descriptor: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Musil, D.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK4
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BU of 8ck4 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol
Descriptor: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Musil, D.
Deposit date:2023-02-14
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
6RCN
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BU of 6rcn by Molmil
Crystal structure of REXO2-D199A-dAdA
Descriptor: DNA (5'-D(P*AP*A)-3'), MAGNESIUM ION, Oligoribonuclease, ...
Authors:Spahr, H, Nicholls, T.J, Larsson, N.G, Gustafsson, C.M.
Deposit date:2019-04-11
Release date:2019-10-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria.
Mol.Cell, 76, 2019
2VVI
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BU of 2vvi by Molmil
IrisFP fluorescent protein in its green form, trans conformation
Descriptor: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION, SULFITE ION
Authors:Adam, V, Lelimousin, M, Boehme, S, Desfonds, G, Nienhaus, K, Field, M.J, Wiedenmann, J, McSweeney, S, Nienhaus, G.U, Bourgeois, D.
Deposit date:2008-06-09
Release date:2008-11-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Irisfp, an Optical Highlighter Undergoing Multiple Photo-Induced Transformations.
Proc.Natl.Acad.Sci.USA, 105, 2008
8C46
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BU of 8c46 by Molmil
N-Carbamoyl-beta-Alanine Amidohydrolases from Rhizobium radiobacter MDC 8606
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-carbamoyl-beta-alanine amidohydrolase, ZINC ION
Authors:Basle, A, Marles-Wright, J.
Deposit date:2023-01-02
Release date:2023-09-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterisation of the N-carbamoyl-beta-alanine amidohydrolase from Rhizobium radiobacter MDC 8606.
Febs J., 290, 2023
8C3U
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BU of 8c3u by Molmil
Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
Descriptor: (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta
Authors:Rondeau, J.-M, Lehmann, S, Koch, E.
Deposit date:2022-12-28
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta.
Nat Commun, 14, 2023
6RCL
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BU of 6rcl by Molmil
Crystal structure of REXO2-D199A-AA
Descriptor: MAGNESIUM ION, Oligoribonuclease, mitochondrial, ...
Authors:Spahr, H, Nicholls, T.J, Larsson, N.G, Gustafsson, C.M.
Deposit date:2019-04-11
Release date:2019-10-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria.
Mol.Cell, 76, 2019
1BGZ
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BU of 1bgz by Molmil
S8 RRNA BINDING SITE FROM E. COLI, NMR, 6 STRUCTURES
Descriptor: RNA
Authors:Kalurachchi, K, Nikonowicz, E.P.
Deposit date:1998-06-03
Release date:1999-01-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure determination of the binding site for ribosomal protein S8 from Escherichia coli 16 S rRNA.
J.Mol.Biol., 280, 1998
8CHE
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BU of 8che by Molmil
TLT-1 binding Fab of the bispecific antibody HMB-001 in complex with the TLT-1 stalk peptide
Descriptor: Fab heavy chain, Fab light chain, Trem-like transcript 1 protein
Authors:Johansson, E, Schluckebier, G.
Deposit date:2023-02-07
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders
Nat Cardiovasc Res, 3, 2024
8CN9
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BU of 8cn9 by Molmil
Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII
Descriptor: CALCIUM ION, CESIUM ION, Coagulation factor VII, ...
Authors:Schluckebier, G, Johansson, E.
Deposit date:2023-02-22
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders
Nat Cardiovasc Res, 2023
8CP7
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BU of 8cp7 by Molmil
Structure of the disulfide-locked substrate binding protein HiSiaP.
Descriptor: N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP, ZINC ION
Authors:Kim, Y, Peter, M.F, Hagelueken, G.
Deposit date:2023-03-02
Release date:2023-12-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational coupling of the sialic acid TRAP transporter HiSiaQM with its substrate binding protein HiSiaP.
Nat Commun, 15, 2024
6RFP
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BU of 6rfp by Molmil
ERK2 MAP kinase with mutations at Helix-G
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Eitan-Wexler, M.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
6RZI
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BU of 6rzi by Molmil
Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen)
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION
Authors:Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
Deposit date:2019-06-13
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.095 Å)
Cite:Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
6RZJ
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BU of 6rzj by Molmil
Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine)
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION
Authors:Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
Deposit date:2019-06-13
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.097 Å)
Cite:Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
6RZM
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BU of 6rzm by Molmil
Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine)
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
Deposit date:2019-06-13
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.345 Å)
Cite:Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
4EK2
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BU of 4ek2 by Molmil
The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to deoxyadenosine monophosphate
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-09
Release date:2012-05-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
6BA6
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BU of 6ba6 by Molmil
Solution structure of Rap1b/talin complex
Descriptor: Ras-related protein Rap-1b, Talin-1
Authors:Zhu, L, Yang, J, Qin, J.
Deposit date:2017-10-12
Release date:2017-12-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
4EYE
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BU of 4eye by Molmil
Crystal structure of a probable oxidoreductase from Mycobacterium abscessus solved by iodide ion SAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Probable oxidoreductase
Authors:Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-01
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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