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3A4P
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BU of 3a4p by Molmil
human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor
Descriptor: (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ...
Authors:Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T.
Deposit date:2009-07-13
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
9JR3
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BU of 9jr3 by Molmil
Cryo-EM structure of PTH-PTH1R-Gq (tilted state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sano, F.K, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2024-09-29
Release date:2024-10-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Insights into G-protein coupling preference from cryo-EM structures of Gq-bound PTH1R
To Be Published
9JR2
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BU of 9jr2 by Molmil
Cryo-EM structure of PTH-PTH1R-Gq (upright state)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha-1 (miniGq), ...
Authors:Sano, F.K, Hirano, H, Itoh, Y, Nureki, O.
Deposit date:2024-09-29
Release date:2024-10-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Insights into G-protein coupling preference from cryo-EM structures of Gq-bound PTH1R
To Be Published
8EAX
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BU of 8eax by Molmil
Octameric prenyltransferase domain of fusicoccadiene Synthase with C2 symmetry sans transiently associating cyclase domains
Descriptor: Fusicoccadiene synthase
Authors:Faylo, J.L, van Eeuwen, T, Christianson, D.W.
Deposit date:2022-08-29
Release date:2022-11-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Transient Prenyltransferase-Cyclase Association in Fusicoccadiene Synthase, an Assembly-Line Terpene Synthase.
Biochemistry, 61, 2022
3Q3K
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BU of 3q3k by Molmil
Factor Xa in complex with a phenylenediamine derivative
Descriptor: Activated factor Xa heavy chain, CALCIUM ION, Factor X light chain, ...
Authors:Suzuki, M, Imai, E.
Deposit date:2010-12-22
Release date:2011-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7CFL
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BU of 7cfl by Molmil
X-ray structure of autolysin Acd24020 catalytic domain from Clostridium difficile
Descriptor: CITRATE ANION, Putative cell wall hydrolase phosphatase-associated protein
Authors:Kamitori, S, Tamai, E.
Deposit date:2020-06-26
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and biochemical characterizations of the novel autolysin Acd24020 from Clostridioides difficile and its full-function catalytic domain as a lytic enzyme.
Mol.Microbiol., 115, 2021
6IUK
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BU of 6iuk by Molmil
Cryo-EM structure of Murine Norovirus capsid
Descriptor: Major capsid protein VP1
Authors:Song, C, Miyazaki, N, Iwasaki, K, Katayama, K, Murata, K.
Deposit date:2018-11-28
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Dynamic rotation of the protruding domain enhances the infectivity of norovirus.
Plos Pathog., 16, 2020
6IGX
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BU of 6igx by Molmil
Crystal structure of human CAP-G in complex with CAP-H
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Condensin complex subunit 2, Condensin complex subunit 3
Authors:Hara, K, Migita, T, Shimizu, K, Hashimoto, H.
Deposit date:2018-09-26
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural basis of HEAT-kleisin interactions in the human condensin I subcomplex.
Embo Rep., 20, 2019
4PK5
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BU of 4pk5 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kohno, T, Tojo, S, Ishii, T.
Deposit date:2014-05-13
Release date:2014-09-03
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
8GW8
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BU of 8gw8 by Molmil
the human PTH1 receptor bound to an intracellular biased agonist
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Isoform Gnas-2 of Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Okamoto, H.H, Nureki, O.
Deposit date:2022-09-16
Release date:2023-06-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Class B1 GPCR activation by an intracellular agonist.
Nature, 618, 2023
5XCT
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BU of 5xct by Molmil
Crystal structure of P20.1 Fv-clasp fragment with its antigen peptide
Descriptor: C8 peptide, CHLORIDE ION, VH(S112C)-SARAH chimera, ...
Authors:Arimori, T, Takagi, J.
Deposit date:2017-03-23
Release date:2017-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability
Structure, 25, 2017
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:2024-10-23
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
7VVN
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BU of 7vvn by Molmil
PTH-bound human PTH1R in complex with Gs (class4)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
Deposit date:2021-11-06
Release date:2022-08-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VVL
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BU of 7vvl by Molmil
PTH-bound human PTH1R in complex with Gs (class2)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
Deposit date:2021-11-06
Release date:2022-08-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VVK
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BU of 7vvk by Molmil
PTH-bound human PTH1R in complex with Gs (class1)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
Deposit date:2021-11-06
Release date:2022-08-03
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VVM
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BU of 7vvm by Molmil
PTH-bound human PTH1R in complex with Gs (class3)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
Deposit date:2021-11-06
Release date:2022-08-03
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VVJ
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BU of 7vvj by Molmil
PTHrP-bound human PTH1R in complex with Gs
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
Deposit date:2021-11-06
Release date:2022-08-03
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VVO
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BU of 7vvo by Molmil
PTH-bound human PTH1R in complex with Gs (class5)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
Deposit date:2021-11-06
Release date:2022-08-03
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VTQ
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BU of 7vtq by Molmil
Cryo-EM structure of mouse NLRP3 (full-length) dodecamer
Descriptor: 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2021-10-30
Release date:2022-03-09
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VTP
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BU of 7vtp by Molmil
Cryo-EM structure of PYD-deleted human NLRP3 hexamer
Descriptor: 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2021-10-30
Release date:2022-03-09
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XMC
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BU of 7xmc by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMD
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BU of 7xmd by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
1UK1
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BU of 1uk1 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor
Descriptor: 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE, Poly [ADP-ribose] polymerase-1
Authors:Kinoshita, T.
Deposit date:2003-08-14
Release date:2004-09-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase
J.Med.Chem., 47, 2004
7CQY
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BU of 7cqy by Molmil
Tetrathionate hydrolase from Acidithiobacillus ferrooxidans mutant - D325N
Descriptor: SULFATE ION, Tetrathionate hydrolase
Authors:Tamada, T, Hirano, Y.
Deposit date:2020-08-12
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.80035782 Å)
Cite:Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020

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