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7KFQ
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BU of 7kfq by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 1H-Indole-3-Carboxylic Acid
Descriptor: 1H-INDOLE-3-CARBOXYLIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-14
Release date:2021-11-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7QCI
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BU of 7qci by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,4-dihydroxybenzylidene)-thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(3,4-dihydroxybenzylidene)-thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
7KFS
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BU of 7kfs by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Benzoic Acid
Descriptor: BENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-14
Release date:2021-11-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7QCJ
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BU of 7qcj by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,4-dihydroxybenzylidene)-thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(2,4-dihydroxybenzylidene)-thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
6AVM
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BU of 6avm by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO SECOND BASE TEMPLATE OVERHANG
Descriptor: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
Authors:Martinez, S.E, Das, K, Arnold, E.
Deposit date:2017-09-03
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
7QCG
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BU of 7qcg by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone
Descriptor: 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-23
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
7QCH
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BU of 7qch by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
7KJL
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BU of 7kjl by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-26
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KH3
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BU of 7kh3 by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 propionic acid
Descriptor: INDOLYLPROPIONIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-19
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KJQ
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BU of 7kjq by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Picloram
Descriptor: Picloram, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-26
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KUA
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BU of 7kua by Molmil
Crystal structure of the MarR family transcriptional regulator from Pseudomonas putida bound to Indole 3 acetic acid
Descriptor: 1H-INDOL-3-YLACETIC ACID, Transcriptional regulator, MarR family
Authors:Walton, W.G, Lietzan, A.D, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KK0
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BU of 7kk0 by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Catechol
Descriptor: CATECHOL, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-27
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KRH
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BU of 7krh by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus with S28A and R46A mutations
Descriptor: SULFATE ION, Transcriptional regulator, MarR family
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KKC
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BU of 7kkc by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 5-Hydroxyindoleacetic acid
Descriptor: (5-hydroxy-1H-indol-3-yl)acetic acid, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-27
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
6Z1M
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BU of 6z1m by Molmil
Structure of an Ancestral glycosidase (family 1) bound to heme
Descriptor: 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-14
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
7KKI
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BU of 7kki by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 2,4-Dichlorophenoxyacetic acid
Descriptor: (2,4-DICHLOROPHENOXY)ACETIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-27
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KIG
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BU of 7kig by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole-3-butyric acid
Descriptor: 3-INDOLEBUTYRIC ACID, SULFATE ION, Transcriptional regulator, ...
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-10-23
Release date:2021-12-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KYM
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BU of 7kym by Molmil
Crystal structure of the MarR family transcriptional regulator from Bradyrhizobium japonicum
Descriptor: MarR family transcriptional regulator, PHOSPHATE ION
Authors:Walton, W.G, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-12-08
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7SPP
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BU of 7spp by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 2C02
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2021-11-02
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography.
Nat Commun, 12, 2021
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
Descriptor: Sequence-Based Designed Protein nmt_0994_guided_02
Authors:Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
Deposit date:2020-11-25
Release date:2021-12-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
1CW7
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BU of 1cw7 by Molmil
LOW TEMPERATURE STRUCTURE OF WILD-TYPE IDH COMPLEXED WITH MG-ISOCITRATE
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Stroud, M.R, Finer-Moore, J.
Deposit date:1999-08-25
Release date:1999-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
6AVT
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BU of 6avt by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO FIRST BASE TEMPLATE OVERHANG
Descriptor: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
Authors:Martinez, S.E, Das, K, Arnold, E.
Deposit date:2017-09-04
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
7LAO
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BU of 7lao by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION
Authors:Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-06
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6Z3W
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BU of 6z3w by Molmil
Human ER membrane protein complex
Descriptor: ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
Authors:Hegde, R.S, O'Donnell, J.P.
Deposit date:2020-05-22
Release date:2020-07-15
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:The architecture of EMC reveals a path for membrane protein insertion.
Elife, 9, 2020
2N19
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BU of 2n19 by Molmil
STIL binding to the Polo-box domain 3 of PLK4 regulates centriole duplication
Descriptor: Serine/threonine-protein kinase PLK4
Authors:Boehm, R, Arquint, C, Gabryjonczyk, A, Imseng, S, Sauer, E, Hiller, S, Nigg, E, Maier, T.
Deposit date:2015-03-24
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:STIL binding to Polo-box 3 of PLK4 regulates centriole duplication.
Elife, 4, 2015

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