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PDB: 1889 results

6R9W
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BU of 6r9w by Molmil
Crystal structure of InhA in complex with AP-124 inhibitor
Descriptor: (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Takebayashi, Y, Hinchliffe, P, Spencer, J.
Deposit date:2019-04-04
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J.Chem.Inf.Model., 60, 2020
8K71
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BU of 8k71 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K72
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BU of 8k72 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K73
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BU of 8k73 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8KI1
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BU of 8ki1 by Molmil
Crystal structure of the holo form of the hemophore HasA from Pseudomonas protegens Pf-5
Descriptor: GLYCEROL, Heme acquisition protein HasAp, PHOSPHATE ION, ...
Authors:Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
Deposit date:2023-08-22
Release date:2024-03-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
8KI0
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BU of 8ki0 by Molmil
Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ...
Authors:Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
Deposit date:2023-08-22
Release date:2024-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
7XMA
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BU of 7xma by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMB
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BU of 7xmb by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
5B3D
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BU of 5b3d by Molmil
Structure of a flagellar type III secretion chaperone, FlgN
Descriptor: Flagella synthesis protein FlgN
Authors:Nakanishi, Y, Kinoshita, M, Namba, K, Minamino, T, Imada, K.
Deposit date:2016-02-15
Release date:2016-06-01
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rearrangements of alpha-helical structures of FlgN chaperone control the binding affinity for its cognate substrates during flagellar type III export
Mol.Microbiol., 101, 2016
6WOX
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BU of 6wox by Molmil
Thermus thermophilus RNA polymerase initially transcribing complex with 2'dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*G)-3'), ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2020-04-26
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:The mechanism of the nucleo-sugar selection by multi-subunit RNA polymerases.
Nat Commun, 12, 2021
6WOY
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BU of 6woy by Molmil
Thermus thermophilus RNA polymerase initially transcribing complex with 3'dCTP
Descriptor: 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*G)-3'), ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2020-04-26
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:The mechanism of the nucleo-sugar selection by multi-subunit RNA polymerases.
Nat Commun, 12, 2021
8WD4
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BU of 8wd4 by Molmil
EGFR(L858R/T790/C797S) in complex with compound 5j
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide
Authors:Nishikawa, Y.
Deposit date:2023-09-14
Release date:2023-12-20
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
4NB9
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BU of 4nb9 by Molmil
Oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ...
Authors:Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
4NBB
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BU of 4nbb by Molmil
Carbazole- and oxygen-bound oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase
Descriptor: 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
4NBC
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BU of 4nbc by Molmil
Oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form1)
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ...
Authors:Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
4NBE
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BU of 4nbe by Molmil
Fluorene-bound oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form2)
Descriptor: 9H-fluorene, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
6OVY
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BU of 6ovy by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter variant -1C
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*TP*CP*TP*GP*AP*TP*G)-3'), DNA (5'-D(P*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*CP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-05-08
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
4NB8
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BU of 4nb8 by Molmil
Oxygenase with Ile262 replaced by Leu and ferredoxin complex of carbazole 1,9a-dioxygenase
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ...
Authors:Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
4YN5
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BU of 4yn5 by Molmil
Catalytic domain of Bacillus sp. JAMB-750 GH26 Endo-beta-1,4-mannanase
Descriptor: CACODYLATE ION, Mannan endo-1,4-beta-mannosidase
Authors:Shimane, Y, Ohta, Y, Usami, R, Hatada, Y.
Deposit date:2015-03-09
Release date:2016-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Bacillus sp. JAMB-750 GH26 Endo-beta-1,4-mannanase
To Be Published
6OY7
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BU of 6oy7 by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter at 7 min
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*TP*CP*TP*GP*AP*TP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-05-14
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
6OY5
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BU of 6oy5 by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter at 3 min
Descriptor: DNA (5'-D(*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*CP*TP*CP*TP*GP*AP*TP*GP*CP*AP*G)-3'), DNA (5'-D(P*CP*CP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*AP*T)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-05-14
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
6OVR
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BU of 6ovr by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter variant -1G
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*CP*TP*GP*AP*TP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*GP*GP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*GP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-05-08
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.843 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
6OW3
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BU of 6ow3 by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter variant -1T
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*GP*AP*TP*CP*TP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*TP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-05-09
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.766 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
6OY6
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BU of 6oy6 by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter at 5 min
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*GP*AP*TP*CP*TP*GP*AP*TP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-05-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
4NBH
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BU of 4nbh by Molmil
Carbazole-bound Oxygenase with Gln282 replaced by Tyr and ferredoxin complex of carbazole 1,9a-dioxygenase
Descriptor: 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
Deposit date:2013-10-23
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014

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