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3E7M
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BU of 3e7m by Molmil
Structure of murine iNOS oxygenase domain with inhibitor AR-C95791
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7S
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BU of 3e7s by Molmil
Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791
Descriptor: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
9BUY
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BU of 9buy by Molmil
Structure of the LM189-Bound beta2AR-Gi Complex
Descriptor: 4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, CHOLESTEROL, ...
Authors:Casiraghi, M, Wang, H, Kobilka, B.K.
Deposit date:2024-05-17
Release date:2025-05-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and dynamics determine G protein coupling specificity at a class A GPCR.
Sci Adv, 11, 2025
3EH5
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BU of 3eh5 by Molmil
Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
Descriptor: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
Deposit date:2008-09-11
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
9DWQ
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BU of 9dwq by Molmil
PKD2 ion channel, F629S variant
Descriptor: CALCIUM ION, Polycystin-2
Authors:Esarte Palomero, O, DeCaen, P.G.
Deposit date:2024-10-09
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:PKD2 ion channel, F629S variant
To Be Published
9DCH
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BU of 9dch by Molmil
Single-stranded RNA-mediated PRC2 dimer
Descriptor: Isoform 2 of Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, Polycomb protein SUZ12, ...
Authors:Song, J.S, Kasinath, V.K.
Deposit date:2024-08-26
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Diverse RNA Structures Induce PRC2 Dimerization and Inhibit Histone Methyltransferase Activity.
Biorxiv, 2024
9EBO
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BU of 9ebo by Molmil
Peptide 2 (GLP-1 (ACPC18)) bound to GLP-1R/Gs complex (conformer 1)
Descriptor: Glucagon-like peptide 1 receptor, Glucagon-like peptide 1(7-36), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cary, B.P, Hager, M.V, Mariam, Z, Morris, R.K, Belousoff, M.J, Deganutti, G, Wootten, D, Sexton, P.M, Gellman, S.H.
Deposit date:2024-11-12
Release date:2025-03-26
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Prolonged signaling of backbone-modified glucagon-like peptide- 1 analogues with diverse receptor trafficking.
Proc.Natl.Acad.Sci.USA, 122, 2025
3EPX
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BU of 3epx by Molmil
Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol
Descriptor: (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ...
Authors:Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J.
Deposit date:2008-09-30
Release date:2009-03-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors.
Biochim.Biophys.Acta, 1794, 2009
3EDD
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BU of 3edd by Molmil
Structural base for cyclodextrin hydrolysis
Descriptor: CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), Cyclomaltodextrinase
Authors:Buedenbender, S, Schulz, G.E.
Deposit date:2008-09-03
Release date:2009-03-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural base for enzymatic cyclodextrin hydrolysis
J.Mol.Biol., 385, 2009
3E6O
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BU of 3e6o by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C124355
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-15
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EJ8
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BU of 3ej8 by Molmil
Structure of double mutant of human iNOS oxygenase domain with bound immidazole
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-09-17
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3ES9
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BU of 3es9 by Molmil
NADPH-Cytochrome P450 Reductase in an Open Conformation
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hamdane, D, Xia, C, Im, S.-C, Zhang, H, Kim, J.-J, Waskell, L.
Deposit date:2008-10-05
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and function of an NADPH-cytochrome P450 oxidoreductase in an open conformation capable of reducing cytochrome P450
J.Biol.Chem., 284, 2009
9EBN
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BU of 9ebn by Molmil
Peptide 1 (GLP-1 (Aib16, ACPC18)) bound to GLP-1R/Gs complex
Descriptor: Glucagon-like peptide 1 receptor, 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:Cary, B.P, Hager, M.V, Mariam, Z, Morris, R.K, Belousoff, M.J, Deganutti, G, Wootten, D, Sexton, P.M, Gellman, S.H.
Deposit date:2024-11-12
Release date:2025-03-26
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Prolonged signaling of backbone-modified glucagon-like peptide- 1 analogues with diverse receptor trafficking.
Proc.Natl.Acad.Sci.USA, 122, 2025
3EPW
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BU of 3epw by Molmil
Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol
Descriptor: 7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one, CALCIUM ION, IAG-nucleoside hydrolase, ...
Authors:Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J.
Deposit date:2008-09-30
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors.
Biochim.Biophys.Acta, 1794, 2009
9EEA
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BU of 9eea by Molmil
GPCR A family receptor
Descriptor: ADENOSINE, Adenosine receptor A2a, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bi, M, Wang, X, Ye, L, Cheng, Y.
Deposit date:2024-11-18
Release date:2025-04-09
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structure and function of a near fully-activated intermediate GPCR-G alpha beta gamma complex.
Nat Commun, 16, 2025
9EBQ
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BU of 9ebq by Molmil
Peptide 2 (GLP-1 (ACPC18)) bound to GLP-1R/Gs complex (conformer 2)
Descriptor: Glucagon-like peptide 1 receptor, 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:Cary, B.P, Hager, M.V, Mariam, Z, Morris, R.K, Belousoff, M.J, Deganutti, G, Wootten, D, Sexton, P.M, Gellman, S.H.
Deposit date:2024-11-12
Release date:2025-03-26
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Prolonged signaling of backbone-modified glucagon-like peptide- 1 analogues with diverse receptor trafficking.
Proc.Natl.Acad.Sci.USA, 122, 2025
1YYY
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BU of 1yyy by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
Descriptor: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-25
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EKS
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BU of 3eks by Molmil
Crystal Structure of Monomeric Actin bound to Cytochalasin D
Descriptor: (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ...
Authors:Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M.
Deposit date:2008-09-19
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
3ELA
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BU of 3ela by Molmil
Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ...
Authors:Bjelke, J.R, Fodje, M, Svensson, L.A.
Deposit date:2008-09-21
Release date:2008-11-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity
J.Biol.Chem., 283, 2008
9EE9
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BU of 9ee9 by Molmil
GPCR A family receptor
Descriptor: ADENOSINE, Adenosine receptor A2a, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bi, M, Wang, X, Ye, L, Cheng, Y.
Deposit date:2024-11-18
Release date:2025-04-09
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure and function of a near fully-activated intermediate GPCR-G alpha beta gamma complex.
Nat Commun, 16, 2025
3EMF
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BU of 3emf by Molmil
Crystal structure of Haemophilus influenzae HiaBD2
Descriptor: Hia (Adhesin)
Authors:Meng, G, Waksman, G.
Deposit date:2008-09-24
Release date:2008-11-04
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Repetitive Architecture of the Haemophilus influenzae Hia Trimeric Autotransporter
J.Mol.Biol., 384, 2008
9EE8
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BU of 9ee8 by Molmil
GPCR A family receptor
Descriptor: ADENOSINE, Adenosine receptor A2a, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bi, M, Wang, X, Ye, L, Cheng, Y.
Deposit date:2024-11-18
Release date:2025-04-09
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structure and function of a near fully-activated intermediate GPCR-G alpha beta gamma complex.
Nat Commun, 16, 2025
9C3H
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BU of 9c3h by Molmil
Structure of the CNOT3-bound human 80S ribosome with tRNA-ARG in the P-site.
Descriptor: 18S rRNA, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 28S rRNA, ...
Authors:Erzberger, J.P, Cruz, V.E.
Deposit date:2024-06-01
Release date:2024-12-04
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Specific tRNAs promote mRNA decay by recruiting the CCR4-NOT complex to translating ribosomes.
Science, 386, 2024
3E7G
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BU of 3e7g by Molmil
Structure of human INOSOX with inhibitor AR-C95791
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008

238582

數據於2025-07-09公開中

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