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7CZW
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BU of 7czw by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2G7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D0D
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BU of 7d0d by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ...
Authors:Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
6R46
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BU of 6r46 by Molmil
Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ...
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6TKZ
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BU of 6tkz by Molmil
Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42
Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL, ...
Authors:Barford, D.
Deposit date:2019-11-29
Release date:2020-01-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
8I4V
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BU of 8i4v by Molmil
Cryo-EM structure of 5-subunit Smc5/6 arm region
Descriptor: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (5.97 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8JPP
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BU of 8jpp by Molmil
Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq
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:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
8Q84
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BU of 8q84 by Molmil
Outer kinetochore Dam1 protomer dimer Ndc80-Nuf2 coiled-coil complex
Descriptor: DASH complex subunit ASK1, DASH complex subunit DAD1, DASH complex subunit DAD2, ...
Authors:Muir, K.W, Barford, D.
Deposit date:2023-08-17
Release date:2023-12-06
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural mechanism of outer kinetochore Dam1-Ndc80 complex assembly on microtubules.
Science, 382, 2023
5YSL
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BU of 5ysl by Molmil
Crystal structure of antibody 1H1 Fab
Descriptor: 1H1 heavy chain, 1H1 light chain
Authors:Hu, X.L, Yang, F.L.
Deposit date:2017-11-14
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two classes of protective antibodies against Pseudorabies virus variant glycoprotein B: Implications for vaccine design.
PLoS Pathog., 13, 2017
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
Descriptor: Chorismate mutase, UNKNOWN ATOM OR ION
Authors:Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-20
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
6PXE
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BU of 6pxe by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P21
Descriptor: Antiholin, Holin
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-25
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
5GTU
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BU of 5gtu by Molmil
Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Descriptor: TBC1 domain family member 5, Vacuolar protein sorting-associated protein 29
Authors:Jia, D, Rosen, M.
Deposit date:2016-08-23
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Nat Commun, 7, 2016
8JAT
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BU of 8jat by Molmil
Crystal structure of the 3-ketodihydrosphingosine reductase TSC10 from Cryptococcus neoformans
Descriptor: 3-ketodihydrosphingosine reductase TSC10, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, P, Kuang, Z.
Deposit date:2023-05-07
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the 3-ketodihydrosphingosine reductase TSC10 from Cryptococcus neoformans.
Biochem.Biophys.Res.Commun., 670, 2023
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6PSK
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BU of 6psk by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P6522
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Antiholin, ...
Authors:Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-12
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
7XGR
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BU of 7xgr by Molmil
Structure of Gemin5 C-terminal region (protomer)
Descriptor: Gem-associated protein 5
Authors:Guo, Q, Zhao, S, Zhang, K, Xu, C.
Deposit date:2022-04-06
Release date:2022-08-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for Gemin5 decamer-mediated mRNA binding.
Nat Commun, 13, 2022
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09192252 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28041458 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8XAB
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BU of 8xab by Molmil
Crystal structure of Ubl1 domain of nonstructural protein 3 of SARS-CoV-2
Descriptor: GLYCEROL, Papain-like protease nsp3
Authors:Li, Y, Ke, Z.
Deposit date:2023-12-03
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:N-terminus of SARS-CoV-2 Nsp3 Interrupts RNA-driven Phase Separation of N Protein by Displacing RNA
To Be Published
7XDT
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BU of 7xdt by Molmil
Structural basis for Gemin5 decamer-mediated mRNA binding
Descriptor: Gem-associated protein 5
Authors:Guo, Q, Zhao, S, Zhang, K, Xu, C.
Deposit date:2022-03-28
Release date:2022-08-24
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural basis for Gemin5 decamer-mediated mRNA binding.
Nat Commun, 13, 2022
8J61
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BU of 8j61 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05065274 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.0005 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
5SWD
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BU of 5swd by Molmil
Structure of the adenine riboswitch aptamer domain in an intermediate-bound state
Descriptor: ADENINE, MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, ...
Authors:Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H.
Deposit date:2016-08-08
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
5NHF
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BU of 5nhf by Molmil
Human Erk2 with an Erk1/2 inhibitor
Descriptor: 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
Deposit date:2017-03-21
Release date:2017-04-19
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5SWE
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BU of 5swe by Molmil
Ligand-bound structure of adenine riboswitch aptamer domain converted in crystal from its ligand-free state using ligand mixing serial femtosecond crystallography
Descriptor: ADENINE, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain
Authors:Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H.
Deposit date:2016-08-08
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
5NHJ
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BU of 5nhj by Molmil
Human Erk2 with an Erk1/2 inhibitor
Descriptor: 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
Deposit date:2017-03-21
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017

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