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5B3V
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BU of 5b3v by Molmil
Crystal structure of biliverdin reductase in complex with biliverdin and NADP+ from Synechocystis sp. PCC 6803
Descriptor: BILIVERDINE IX ALPHA, Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3U
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BU of 5b3u by Molmil
Crystal structure of biliverdin reductase in complex with NADP+ from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
Descriptor: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
Authors:Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
Deposit date:2018-07-25
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
8CXR
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BU of 8cxr by Molmil
Crystal structure of MraY bound to a sphaerimicin analogue
Descriptor: (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Mashalidis, E.H, Lee, S.Y.
Deposit date:2022-05-22
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Synthesis of macrocyclic nucleoside antibacterials and their interactions with MraY.
Nat Commun, 13, 2022
6GI4
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BU of 6gi4 by Molmil
Structure of Lytic Transglycosylase MltE mutant S75A from E.coli
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-05-09
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
6JLZ
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BU of 6jlz by Molmil
P-eIF2a - eIF2B complex
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, PHOSPHATE ION, Probable translation initiation factor eIF-2B subunit beta, ...
Authors:Kashiwagi, K, Ito, T.
Deposit date:2019-03-07
Release date:2019-05-01
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
5AA2
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BU of 5aa2 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide.
Descriptor: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5AA1
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BU of 5aa1 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide
Descriptor: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
6I0A
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BU of 6i0a by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with nuded glycan obtained by co-crystallization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-25
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
5AA4
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BU of 5aa4 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide
Descriptor: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
6IP5
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BU of 6ip5 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome (Structure ii)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
Deposit date:2018-11-02
Release date:2019-05-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
5A5X
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BU of 5a5x by Molmil
Crystal Structure of Se-Met MltF from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-06-23
Release date:2016-10-12
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5B83
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BU of 5b83 by Molmil
Crystal structure of Optineurin UBAN in complex with linear ubiquitin
Descriptor: Optineurin, tetra ubiquitin
Authors:Ishii, R, Nureki, O.
Deposit date:2016-06-12
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Linear ubiquitination is involved in the pathogenesis of optineurin-associated amyotrophic lateral sclerosis
Nat Commun, 7, 2016
5CGP
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BU of 5cgp by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
Descriptor: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, CREB-binding protein
Authors:Chekler, E.L, Jones, L.H.
Deposit date:2015-07-09
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
6JLY
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BU of 6jly by Molmil
eIF2a - eIF2B complex
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, PHOSPHATE ION, Probable translation initiation factor eIF-2B subunit beta, ...
Authors:Kashiwagi, K, Ito, T.
Deposit date:2019-03-07
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
5AA3
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BU of 5aa3 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide
Descriptor: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
5CFW
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BU of 5cfw by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
Descriptor: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
Authors:Chekler, E.L, Jones, L.H.
Deposit date:2015-07-08
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
5B6F
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BU of 5b6f by Molmil
Crystal structure of the Fab fragment of an anti-Leukotriene C4 monoclonal antibody complexed with LTC4
Descriptor: (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ...
Authors:Sugahara, M, Ago, H, Saino, H, Miyano, M.
Deposit date:2016-05-27
Release date:2017-05-31
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Fab fragment of an anti-Leukotriene C4 monoclonal antibody complexed with LTC4
To Be Published
5B04
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BU of 5b04 by Molmil
Crystal structure of the eukaryotic translation initiation factor 2B from Schizosaccharomyces pombe
Descriptor: PHOSPHATE ION, Probable translation initiation factor eIF-2B subunit beta, Probable translation initiation factor eIF-2B subunit delta, ...
Authors:Kashiwagi, K, Ito, T, Yokoyama, S.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Crystal structure of eukaryotic translation initiation factor 2B
Nature, 531, 2016
5AWG
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BU of 5awg by Molmil
Crystal structure of Hg-bound SufB-SufC-SufD complex from Escherichia coli
Descriptor: FeS cluster assembly protein SufB, FeS cluster assembly protein SufD, MERCURY (II) ION, ...
Authors:Hirabayashi, K, Wada, K.
Deposit date:2015-07-03
Release date:2015-11-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (4.278 Å)
Cite:Functional Dynamics Revealed by the Structure of the SufBCD Complex, a Novel ATP-binding Cassette (ABC) Protein That Serves as a Scaffold for Iron-Sulfur Cluster Biogenesis
J.Biol.Chem., 290, 2015
8DEG
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BU of 8deg by Molmil
Crystal structure of DLK in complex with inhibitor DN0011197
Descriptor: Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Authors:Srivastava, A, Lexa, K, de Vicente, J.
Deposit date:2022-06-20
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
5ANZ
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BU of 5anz by Molmil
Crystal Structure of SltB3 from Pseudomonas aeruginosa.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SOLUBLE LYTIC TRANSGLYCOSYLASE B3
Authors:Dominguez-Gil, T, Hermoso, J.A.
Deposit date:2015-09-09
Release date:2016-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:Turnover of Bacterial Cell Wall by Sltb3, a Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa.
Acs Chem.Biol., 11, 2016
8E22
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BU of 8e22 by Molmil
VPS37A_21-148
Descriptor: Vacuolar protein sorting-associated protein 37A
Authors:Tian, F, Ye, Y.S.
Deposit date:2022-08-12
Release date:2023-08-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure.
Commun Biol, 7, 2024
6IP6
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BU of 6ip6 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome with HCV IRES (Structure iii)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
Deposit date:2018-11-02
Release date:2019-05-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019

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