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7W6V
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BU of 7w6v by Molmil
Crystal structure of a dicobalt-substituted small laccase at 2.47 angstrom
Descriptor: COBALT (II) ION, Putative copper oxidase
Authors:Yang, X, Wu, F, Wu, W, Chen, X, Fan, S, Yu, P, Mao, L.
Deposit date:2021-12-02
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A versatile artificial metalloenzyme scaffold enabling direct bioelectrocatalysis in solution.
Sci Adv, 8, 2022
2FTU
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BU of 2ftu by Molmil
solution structure of domain 3 of RAP
Descriptor: Alpha-2-macroglobulin receptor-associated protein, domain 3
Authors:Lee, D, Walsh, J.D, Wang, Y.-X.
Deposit date:2006-01-24
Release date:2006-05-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:RAP uses a histidine switch to regulate its interaction with LRP in the ER and Golgi.
Mol.Cell, 22, 2006
4XNR
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BU of 4xnr by Molmil
Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine
Descriptor: ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch
Authors:Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
1WAF
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BU of 1waf by Molmil
DNA POLYMERASE FROM BACTERIOPHAGE RB69
Descriptor: DNA POLYMERASE, GUANOSINE
Authors:Wang, J, Satter, A.K.M.A, Wang, C.C, Karam, J.D, Konigsberg, W.H, Steitz, T.A.
Deposit date:1997-04-13
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a pol alpha family replication DNA polymerase from bacteriophage RB69.
Cell(Cambridge,Mass.), 89, 1997
1WAJ
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BU of 1waj by Molmil
DNA POLYMERASE FROM BACTERIOPHAGE RB69
Descriptor: DNA POLYMERASE, GUANOSINE-5'-MONOPHOSPHATE
Authors:Wang, J, Satter, A.K.M.A, Wang, C.C, Karam, J.D, Konigsberg, W.H, Steitz, T.A.
Deposit date:1997-04-13
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a pol alpha family replication DNA polymerase from bacteriophage RB69.
Cell(Cambridge,Mass.), 89, 1997
4ANM
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BU of 4anm by Molmil
Complex of CK2 with a CDC7 inhibitor
Descriptor: 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA
Authors:Stout, T.J.
Deposit date:2012-03-20
Release date:2012-05-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4ALU
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BU of 4alu by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALV
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BU of 4alv by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALW
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BU of 4alw by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4BBE
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BU of 4bbe by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Descriptor: N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Li, J.
Deposit date:2012-09-21
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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
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
4AW5
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BU of 4aw5 by Molmil
Complex of the EphB4 kinase domain with an oxindole inhibitor
Descriptor: (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4
Authors:Till, J.H, Stout, T.J.
Deposit date:2012-05-31
Release date:2012-08-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4BBF
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BU of 4bbf by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Descriptor: (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Li, J.
Deposit date:2012-09-21
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
5E54
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BU of 5e54 by Molmil
Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser
Descriptor: MAGNESIUM ION, 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:2015-10-07
Release date:2016-11-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
3LQ8
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BU of 3lq8 by Molmil
Structure of the kinase domain of c-Met bound to XL880 (GSK1363089)
Descriptor: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2010-02-08
Release date:2010-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases.
Cancer Res., 69, 2009
6VWV
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BU of 6vwv by Molmil
Transitional unit cell 2 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6WJS
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BU of 6wjs by Molmil
Apo structure of the FMN riboswitch aptamer domain in the presence of phosphate
Descriptor: PHOSPHATE ION, RNA (112-MER)
Authors:Wilt, H.M, Wang, Y.-X, Stagno, J.R.
Deposit date:2020-04-14
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:FMN riboswitch aptamer symmetry facilitates conformational switching through mutually exclusive coaxial stacking configurations.
J Struct Biol X, 4, 2020
6WJR
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BU of 6wjr by Molmil
Apo structure of the FMN riboswitch aptamer domain in the presence of sulfate
Descriptor: MAGNESIUM ION, RNA (112-MER), SULFATE ION
Authors:Wilt, H.M, Wang, Y.-X, Stagno, J.R.
Deposit date:2020-04-14
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:FMN riboswitch aptamer symmetry facilitates conformational switching through mutually exclusive coaxial stacking configurations.
J Struct Biol X, 4, 2020
5YB1
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BU of 5yb1 by Molmil
Structure and function of human serum albumin-metal agent complex
Descriptor: PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
Authors:Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L.
Deposit date:2017-09-02
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
5Z6Q
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BU of 5z6q by Molmil
Crystal structure of AAA of Spastin
Descriptor: CHLORIDE ION, Spastin
Authors:Lin, Z, Wang, C, Shen, Y.
Deposit date:2018-01-25
Release date:2018-12-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The AAA protein spastin possesses two levels of basal ATPase activity
FEBS Lett., 592, 2018
7VQ2
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BU of 7vq2 by Molmil
Structure of Apo-hsTRPM2 channel TM domain
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
Deposit date:2021-10-18
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
8CZJ
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BU of 8czj by Molmil
A bacteria Zrt/Irt-like protein in the apo state
Descriptor: Putative membrane protein, SULFATE ION, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Zhang, Y, Hu, J.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter.
Nat Commun, 14, 2023
5UZA
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BU of 5uza by Molmil
Adenine riboswitch aptamer domain labelled with iodo-uridine by position-selective labelling of RNA (PLOR)
Descriptor: ADENINE, MAGNESIUM ION, RNA (71-MER)
Authors:Liu, Y, Stagno, J.R, Wang, Y.-X.
Deposit date:2017-02-25
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Incorporation of isotopic, fluorescent, and heavy-atom-modified nucleotides into RNAs by position-selective labeling of RNA.
Nat Protoc, 13, 2018

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