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7XIX
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BU of 7xix by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNQ
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BU of 7xnq by Molmil
SARS-CoV-2 Omicron BA.4 variant spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-04-29
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIY
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BU of 7xiy by Molmil
SARS-CoV-2 Omicron BA.3 variant spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIW
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BU of 7xiw by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIZ
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BU of 7xiz by Molmil
SARS-CoV-2 Omicron BA.3 variant spike (local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
6NVL
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BU of 6nvl by Molmil
FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVG
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BU of 6nvg by Molmil
FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVK
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BU of 6nvk by Molmil
FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
3HH0
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BU of 3hh0 by Molmil
Crystal structure of a transcriptional regulator, MerR family from Bacillus cereus
Descriptor: Transcriptional regulator, MerR family
Authors:Palani, K, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-05-14
Release date:2009-05-26
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of a transcriptional regulator, MerR family from Bacillus cereus
To be Published
6NVI
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BU of 6nvi by Molmil
FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6OK4
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BU of 6ok4 by Molmil
Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) from Chlamydia trachomatis with bound NAD
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-04-12
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of glyceraldehyde 3-phosphate dehydrogenase in Neisseria gonorrhoeae and Chlamydia trachomatis.
Protein Sci., 29, 2020
7VBT
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BU of 7vbt by Molmil
Crystal structure of RIOK2 in complex with CQ211
Descriptor: 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-09-01
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54001474 Å)
Cite:Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022
6O5H
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BU of 6o5h by Molmil
The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity.
Descriptor: 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine, Leukotriene A-4 hydrolase, ZINC ION
Authors:Noble, S.M, Lee, K.H, Paige, M.
Deposit date:2019-03-03
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Effect of Modifier Structure on the Activation of Leukotriene A4Hydrolase Aminopeptidase Activity.
J.Med.Chem., 62, 2019
6NVJ
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BU of 6nvj by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVH
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BU of 6nvh by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6N7E
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BU of 6n7e by Molmil
Crystal structure of the cytosolic domain of human CNNM2 in complex with AMP-PNP and Mg2+
Descriptor: MAGNESIUM ION, Metal transporter CNNM2,Metal transporter CNNM2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chen, Y.S, Gehring, K.
Deposit date:2018-11-27
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Singh, S, McKenna, R.
Deposit date:2019-01-10
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
6NLV
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BU of 6nlv by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Singh, S, McKenna, R.
Deposit date:2019-01-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
7Y3A
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BU of 7y3a by Molmil
Crystal structure of TRIM7 bound to 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-2C
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Y3B
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BU of 7y3b by Molmil
Crystal structure of TRIM7 bound to GN1
Descriptor: E3 ubiquitin-protein ligase TRIM7,TRIM7-GN1
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Y3C
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BU of 7y3c by Molmil
Crystal structure of TRIM7 bound to RACO-1
Descriptor: E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-RACO-1
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SJ7
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BU of 8sj7 by Molmil
Crystal structure of FBF-2 (RBD+CT) in complex with compact FBE RNA
Descriptor: Fem-3 mRNA-binding factor 2, RNA (5'-R(*CP*UP*GP*UP*GP*AP*AP*UP*G)-3')
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2023-04-17
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Intra- and inter-molecular regulation by intrinsically-disordered regions governs PUF protein RNA binding.
Nat Commun, 14, 2023
3IKF
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BU of 3ikf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
Descriptor: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-03-17
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001182 Å)
Cite:Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
5Y81
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BU of 5y81 by Molmil
NuA4 TEEAA sub-complex
Descriptor: Actin, Actin-related protein 4, Chromatin modification-related protein EAF1, ...
Authors:Wang, X, Cai, G.
Deposit date:2017-08-18
Release date:2018-04-18
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Architecture of the Saccharomyces cerevisiae NuA4/TIP60 complex
Nat Commun, 9, 2018

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