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7GTT
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BU of 7gtt by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000148a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(3,4-dihydroquinoline-1(2H)-carbothioyl)propanamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6BME
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BU of 6bme by Molmil
Crystal structure of Chlamydomonas reinhardtii THB4
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Truncated hemoglobin 4
Authors:Russo, M.M, Schlessman, J.L, Lecomte, J.T.J.
Deposit date:2017-11-14
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Lysine as a heme iron ligand: A property common to three truncated hemoglobins from Chlamydomonas reinhardtii.
Biochim Biophys Acta Gen Subj, 1862, 2018
7GSA
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BU of 7gsa by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000260a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3-chlorophenyl)carbamate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2ODE
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BU of 2ode by Molmil
Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
Authors:Gileadi, C, Soundararajan, M, Turnbull, A.P, Elkins, J.M, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-12-22
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6BIH
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BU of 6bih by Molmil
The Structure of the Actin-Smooth Muscle Myosin Motor Domain Complex in the Rigor State
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Taylor, K.A, Banerjee, C, Hu, Z.
Deposit date:2017-11-02
Release date:2018-09-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6 Å)
Cite:The structure of the actin-smooth muscle myosin motor domain complex in the rigor state.
J. Struct. Biol., 200, 2017
8BWU
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BU of 8bwu by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION
Authors:Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M.
Deposit date:2022-12-07
Release date:2023-10-11
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
1NT5
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BU of 1nt5 by Molmil
F1-Gramicidin A in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Townsley, L.E, Fletcher, T.G, Hinton, J.F.
Deposit date:2003-01-28
Release date:2003-02-11
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport, and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles.
Biochemistry, 42, 2003
4YDN
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BU of 4ydn by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
Descriptor: 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin
Authors:Connelly, S, Bradbury, N.C.
Deposit date:2015-02-22
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
1NPF
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BU of 1npf by Molmil
MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITRIC OXIDE
Descriptor: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, West, A.H, Richter-Addo, G.B.
Deposit date:2003-01-17
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane.
Proteins, 53, 2003
1NRM
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BU of 1nrm by Molmil
Gramicidin A in Dodecyl Phosphocholine Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Townsley, L.E, Hinton, J.F.
Deposit date:2003-01-25
Release date:2003-02-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Three-Dimensional Structure of Gramicidin Analogs in Micellar Environments Determined Using Two-Dimensional Nuclear Magnetic Resonance Spectroscopic Techniques
Phd Thesis, 2000
2HMJ
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BU of 2hmj by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
Deposit date:2006-07-11
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
8GG1
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BU of 8gg1 by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #7 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGM
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BU of 8ggm by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #5 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGX
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BU of 8ggx by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #16 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
6I8M
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BU of 6i8m by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR
Descriptor: (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Casale, E, Papeo, G, Montagnoli, A.
Deposit date:2018-11-20
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10, 2019
8GFY
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BU of 8gfy by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #4 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGB
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BU of 8ggb by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #17 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GH0
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BU of 8gh0 by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #19 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGA
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BU of 8gga by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #16 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGU
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BU of 8ggu by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #13 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GFV
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BU of 8gfv by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #1 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
2HMM
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BU of 2hmm by Molmil
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene
Descriptor: 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ...
Authors:Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
Deposit date:2006-07-11
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
8GGN
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BU of 8ggn by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #6 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGZ
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BU of 8ggz by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #18 of 20)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-03-08
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
1NPG
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BU of 1npg by Molmil
MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITROSOETHANE
Descriptor: Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, West, A.H, Richter-Addo, G.B.
Deposit date:2003-01-17
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane.
Proteins, 53, 2003

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數據於2024-07-17公開中

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