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3RXE
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BU of 3rxe by Molmil
Crystal structure of Trypsin complexed with benzamide
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXR
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BU of 3rxr by Molmil
Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment)
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3GKQ
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BU of 3gkq by Molmil
Terminal oxygenase of carbazole 1,9a-dioxygenase from Novosphingobium sp. KA1
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Terminal oxygenase component of carbazole 1,9a-dioxygenase
Authors:Umeda, T, Nojiri, H.
Deposit date:2009-03-11
Release date:2010-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Specific interaction via putidaredoxin-type ferredoxin in carbazole 1,9a-dioxygenase from Novosphingobium sp. KA1
To be Published
1IUH
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BU of 1iuh by Molmil
Crystal structure of TT0787 of thermus thermophilus HB8
Descriptor: 2'-5' RNA Ligase
Authors:Kato, M, Sakai, H, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-03-05
Release date:2003-06-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the 2'-5' RNA Ligase from Thermus thermophilus HB8
J.MOL.BIOL., 329, 2003
6OKM
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BU of 6okm by Molmil
Human OX40R (TNFRSF4) bound to Fab 3C8
Descriptor: Fab 3C8 Heavy Chain, Fab 3C8 light chain, Tumor necrosis factor receptor superfamily member 4
Authors:Boenig, G, Ultsch, M.H, Harris, S.F.
Deposit date:2019-04-14
Release date:2019-08-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
6OKN
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BU of 6okn by Molmil
OX40R (TNFRSF4) bound to Fab 1A7
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab 1A7 heavy chain, Fab 1A7 light chain, ...
Authors:Ultsch, M.H, Boenig, G, Harris, S.F.
Deposit date:2019-04-14
Release date:2019-07-10
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members.
Mabs, 11, 2019
5F87
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BU of 5f87 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with UDP
Descriptor: GLYCEROL, O-glucosyltransferase rumi, URIDINE-5'-DIPHOSPHATE
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
6FEK
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BU of 6fek by Molmil
Oncogenic point mutation of RET receptor tyrosine kinase
Descriptor: ADENOSINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:McDonald, N.Q, Kohno, T.
Deposit date:2018-01-02
Release date:2018-02-28
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A secondary RET mutation in the activation loop conferring resistance to vandetanib.
Nat Commun, 9, 2018
5F84
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BU of 5f84 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its glycoprotein product (glucosylated EGF repeat) and UDP
Descriptor: Coagulation factor IX, O-glucosyltransferase rumi, SULFATE ION, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
6FSB
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BU of 6fsb by Molmil
Influenza B/Memphis/13/03 endonuclease with I38T mutation
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
5F85
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BU of 5f85 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its substrate protein (EGF repeat) and UDP
Descriptor: Coagulation factor IX, GLYCEROL, O-glucosyltransferase rumi, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
1UFL
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BU of 1ufl by Molmil
Crystal Structure of TT1020 from Thermus thermophilus HB8
Descriptor: Nitrogen regulatory protein P-II
Authors:Wang, H, Sakai, H, Hori-Takemoto, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-31
Release date:2003-11-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
6FS6
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BU of 6fs6 by Molmil
Influenza A/California/04/2009 (pH1N1) endonuclease with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
6FS7
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BU of 6fs7 by Molmil
Influenza A/California/04/2009 (pH1N1) endonuclease with I38T mutation with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
7ZW8
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BU of 7zw8 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7ZY6
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BU of 7zy6 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
5F86
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BU of 5f86 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its substrate protein (EGF repeat)
Descriptor: Coagulation factor IX, GLYCEROL, O-glucosyltransferase rumi, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
8B9S
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BU of 8b9s by Molmil
NATIVE FORM, THERMOSTABLE LIPASE FROM THERMOANAEROBACTER THERMOHYDROSULFURICUS
Descriptor: DECANE, GLYCEROL, PHOSPHATE ION, ...
Authors:Pinotsis, N, Wilmanns, M.
Deposit date:2022-10-06
Release date:2023-10-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
6FS8
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BU of 6fs8 by Molmil
Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
6QNB
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BU of 6qnb by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C
Authors:Mehrabi, P, Schulz, E.C, Miller, R.J.D.
Deposit date:2019-02-10
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6FS9
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BU of 6fs9 by Molmil
Influenza B/Memphis/13/03 endonuclease with I38T mutation with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
3RCD
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BU of 3rcd by Molmil
HER2 Kinase Domain Complexed with TAK-285
Descriptor: N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2
Authors:Aertgeerts, K, Skene, R, Sogabe, S.
Deposit date:2011-03-30
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
J.Med.Chem., 54, 2011
6QNC
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BU of 6qnc by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0.1 s timepoint
Descriptor: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
Authors:Mehrabi, P, Schulz, E.C, Miller, R.J.D.
Deposit date:2019-02-10
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6QNJ
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BU of 6qnj by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 4.5 s timepoint
Descriptor: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
Authors:Mehrabi, P, Schulz, E.C, Miller, R.J.D.
Deposit date:2019-02-11
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
8BJT
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BU of 8bjt by Molmil
Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Musil, D, Liu-Bujalski, L.
Deposit date:2022-11-06
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.188 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023

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PDB entries from 2024-07-17

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