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6OGZ
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BU of 6ogz by Molmil
In situ structure of Rotavirus RNA-dependent RNA polymerase at transcript-elongated state
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Inner capsid protein VP2, RNA (5'-R(P*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*A)-3'), ...
Authors:Ding, K, Chang, T, Shen, W, Roy, P, Zhou, Z.H.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:In situ structures of rotavirus polymerase in action and mechanism of mRNA transcription and release.
Nat Commun, 10, 2019
6OGY
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BU of 6ogy by Molmil
In situ structure of Rotavirus RNA-dependent RNA polymerase at duplex-open state
Descriptor: DNA/RNA (5'-D(*(GTG))-R(P*GP*C)-3'), Inner capsid protein VP2, RNA (5'-R(P*AP*GP*CP*C)-3'), ...
Authors:Ding, K, Chang, T, Shen, W, Roy, P, Zhou, Z.H.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:In situ structures of rotavirus polymerase in action and mechanism of mRNA transcription and release.
Nat Commun, 10, 2019
6BP7
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BU of 6bp7 by Molmil
Recombinant major vault protein [Rattus norvegicus] structure in solution: conformation 2
Descriptor: Major vault protein
Authors:Ding, K, Zhang, X, Mrazek, J, Kickhoefer, V.A, Lai, M, Ng, H.L, Yang, O.O, Rome, L.H, Zhou, Z.H.
Deposit date:2017-11-22
Release date:2018-04-04
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Solution Structures of Engineered Vault Particles.
Structure, 26, 2018
6BP8
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BU of 6bp8 by Molmil
Recombinant major vault protein [Rattus norvegicus] structure in solution: conformation 1
Descriptor: Major vault protein
Authors:Ding, K, Zhang, X, Mrazek, J, Kickhoefer, V.A, Lai, M, Ng, H.L, Yang, O.O, Rome, L.H, Zhou, Z.H.
Deposit date:2017-11-22
Release date:2018-04-04
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Solution Structures of Engineered Vault Particles.
Structure, 26, 2018
6M99
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BU of 6m99 by Molmil
In situ structure of transcriptional enzyme complex and asymmetric inner capsid protein of aquareovirus at primed state
Descriptor: PHOSPHATE ION, Putative core protein NTPase/VP5, VP2, ...
Authors:Ding, K, Zhou, Z.H.
Deposit date:2018-08-23
Release date:2018-09-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:In SituStructures of the Polymerase Complex and RNA Genome Show How Aquareovirus Transcription Machineries Respond to Uncoating.
J. Virol., 92, 2018
2JRP
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BU of 2jrp by Molmil
Solution NMR Structure of YfgJ from Salmonella typhimurium Modeled with Two Zn+2 Bound, Northeast Structural Genomics Consortium Target StR86
Descriptor: Putative cytoplasmic protein, ZINC ION
Authors:Ding, K, Ramelot, T.A, Cort, J.R, Wang, H, Nwosu, C, Cunningham, K, Owens, L, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR Structure of YfgJ from Salmonella typhimurium Modeled with Two Zn+2 Bound.
To be Published
2JOE
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BU of 2joe by Molmil
NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538.
Descriptor: Hypothetical lipoprotein yehR
Authors:Ding, K, Ramelot, T.A, Cort, J.R, Chen, C.X, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-03-08
Release date:2007-04-10
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR Structure of E. Coli YehR Protein
To be Published
2JOV
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BU of 2jov by Molmil
NMR Structure of Clostridium Perfringens Protein CPE0013. Northeast Structural Genomics Target CpR31.
Descriptor: Hypothetical protein CPE0013
Authors:Ding, K, Ramelot, T.A, Anklin, C.G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-04-04
Release date:2007-05-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structure of Clostridium perfringens protein CPE0013.
To be Published
2JUZ
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BU of 2juz by Molmil
Solution NMR structure of HI0947 from Haemophilus influenzae, Northeast Structural Genomics Consortium Target IR123
Descriptor: UPF0352 protein HI0840
Authors:Ding, K, Ramelot, T.A, Cort, J.R, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-09
Release date:2007-10-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of HI0947 from Haemophilus influenzae.
To be Published
2JZ8
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BU of 2jz8 by Molmil
Solution NMR structure of BH09830 from Bartonella henselae modeled with one Zn+2 bound. Northeast Structural Genomics Consortium target BnR55
Descriptor: Uncharacterized protein BH09830, ZINC ION
Authors:Ding, K, Cort, J.R, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-12-30
Release date:2008-01-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of BH09830 from Bartonella henselae modeled with one Zn+2 bound.
To be Published
5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Descriptor: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
5FDX
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BU of 5fdx by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
Descriptor: 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
6PO2
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BU of 6po2 by Molmil
In situ structure of BTV RNA-dependent RNA polymerase in BTV core
Descriptor: Inner core structural protein VP3, RNA-directed RNA polymerase
Authors:He, Y, Shivakoti, S, Ding, K, Cui, Y, Roy, P, Zhou, Z.H.
Deposit date:2019-07-03
Release date:2019-08-07
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:In situ structures of RNA-dependent RNA polymerase inside bluetongue virus before and after uncoating.
Proc.Natl.Acad.Sci.USA, 116, 2019
6PNS
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BU of 6pns by Molmil
In situ structure of BTV RNA-dependent RNA polymerase in BTV virion
Descriptor: Inner core structural protein VP3, RNA-directed RNA polymerase
Authors:He, Y, Shivakoti, S, Ding, K, Cui, Y, Roy, P, Zhou, Z.H.
Deposit date:2019-07-03
Release date:2019-08-07
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:In situ structures of RNA-dependent RNA polymerase inside bluetongue virus before and after uncoating.
Proc.Natl.Acad.Sci.USA, 116, 2019
5XRA
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BU of 5xra by Molmil
Crystal structure of the human CB1 in complex with agonist AM11542
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ...
Authors:Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
2KEN
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BU of 2ken by Molmil
Solution NMR structure of the OB domain (residues 67-166) of MM0293 from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR214a.
Descriptor: Conserved protein
Authors:Ramelot, T.A, Ding, K, Magliqui, M, Jiang, M, Ciccosanti, C, Xiao, R, Lui, J, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-01-30
Release date:2009-02-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the OB domain of MM0293 from the archea Methanosarcina mazei
To be Published
2K75
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BU of 2k75 by Molmil
Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum. Northeast Structural Genomics Consortium target TaR80b.
Descriptor: uncharacterized protein Ta0387
Authors:Ramelot, T.A, Ding, K, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-08-01
Release date:2008-08-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum.
To be Published
6VL4
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BU of 6vl4 by Molmil
Crystal Structure of mPGES-1 bound to DG-031
Descriptor: (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ...
Authors:Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H.
Deposit date:2020-01-22
Release date:2020-12-02
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
7RPK
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BU of 7rpk by Molmil
Cryo-EM structure of murine Dispatched in complex with Sonic hedgehog
Descriptor: (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPJ
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BU of 7rpj by Molmil
Cryo-EM structure of murine Dispatched NNN mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPH
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BU of 7rph by Molmil
Cryo-EM structure of murine Dispatched 'R' conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPI
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BU of 7rpi by Molmil
Cryo-EM structure of murine Dispatched 'T' conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
6PYT
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BU of 6pyt by Molmil
CryoEM Structure of Pyocin R2 - precontracted - trunk
Descriptor: Pyocin sheath PA0622, Pyocin tube PA0623
Authors:Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H.
Deposit date:2019-07-30
Release date:2020-04-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
6BQG
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BU of 6bqg by Molmil
Crystal structure of 5-HT2C in complex with ergotamine
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine
Authors:Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BQH
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BU of 6bqh by Molmil
Crystal structure of 5-HT2C in complex with ritanserin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ...
Authors:Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018

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