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7UKS
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BU of 7uks by Molmil
Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)
Descriptor: 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1
Authors:Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
Deposit date:2022-04-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7UKR
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BU of 7ukr by Molmil
Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction
Descriptor: 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1
Authors:Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
Deposit date:2022-04-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
8FAH
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BU of 8fah by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2022-11-26
Release date:2023-12-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (4.22 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
1PY5
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BU of 1py5 by Molmil
Crystal Structure of TGF-beta receptor I kinase with inhibitor
Descriptor: 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE, SULFATE ION, TGF-beta receptor type I
Authors:Zhang, F, Sawyer, J.S.
Deposit date:2003-07-08
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Bioorg.Med.Chem.Lett., 14, 2004
1RW8
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BU of 1rw8 by Molmil
Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor
Descriptor: 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE, TGF-beta receptor type I
Authors:Zhang, F, Sawyer, J.S.
Deposit date:2003-12-16
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain.
Bioorg.Med.Chem.Lett., 14, 2004
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
Authors:Yang, J, Wang, Y, Zhang, G.
Deposit date:2023-03-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
8SGU
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BU of 8sgu by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2023-04-13
Release date:2023-12-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
5GO3
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BU of 5go3 by Molmil
Crystal structure of a di-nucleotide cyclase Vibrio mutant
Descriptor: Cyclic GMP-AMP synthase
Authors:Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y.
Deposit date:2016-07-26
Release date:2016-11-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a di-nucleotide cyclase Vibrio mutant
To Be Published
6BRB
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BU of 6brb by Molmil
Novel non-antibody protein scaffold targeting CD40L
Descriptor: CD40 ligand, Tn3-like, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Oganesyan, V, Baca, M, Thisted, T, Grinberg, L, Wu, H, Dall'Acqua, W.F.
Deposit date:2017-11-30
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:A CD40L-targeting protein reduces autoantibodies and improves disease activity in patients with autoimmunity.
Sci Transl Med, 11, 2019
7SYY
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BU of 7syy by Molmil
Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, ...
Authors:Xu, K, Xu, Y.
Deposit date:2021-11-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SYZ
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BU of 7syz by Molmil
Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, Antibody hAH1.3 light chain, ...
Authors:Xu, K, Xu, Y.
Deposit date:2021-11-25
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TXZ
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BU of 7txz by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the distal region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-02-10
Release date:2022-03-09
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022
7TY0
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BU of 7ty0 by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the stalk region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-02-10
Release date:2022-03-09
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022
5EVM
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BU of 5evm by Molmil
Crystal Structure of Nipah Virus Fusion Glycoprotein in the Prefusion State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MALONATE ION, ...
Authors:Xu, K, Nikolov, D.B.
Deposit date:2015-11-20
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.367 Å)
Cite:Crystal Structure of the Pre-fusion Nipah Virus Fusion Glycoprotein Reveals a Novel Hexamer-of-Trimers Assembly.
Plos Pathog., 11, 2015
5WWD
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BU of 5wwd by Molmil
Crystal structure of AtNUDX1
Descriptor: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
Deposit date:2016-12-31
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.386 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
5WY6
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BU of 5wy6 by Molmil
Crystal structure of AtNUDX1 (E56A)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nudix hydrolase 1, ...
Authors:Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
Deposit date:2017-01-11
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
7X6V
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BU of 7x6v by Molmil
lymphocytic choriomeningitis virus polymerase- Matrix Z Protein Complex (LCMV L-Z Complex)
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Liu, L, Lou, Z.
Deposit date:2022-03-08
Release date:2023-09-13
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure basis for allosteric regulation of lymphocytic choriomeningitis virus polymerase function by Z matrix protein.
Protein Cell, 14, 2023
7X6S
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BU of 7x6s by Molmil
lymphocytic choriomeningitis virus RNA-dependent RNA polymerase (LCMV-L protein)
Descriptor: MANGANESE (II) ION, RNA-directed RNA polymerase L
Authors:Liu, L, Lou, Z.
Deposit date:2022-03-08
Release date:2023-09-13
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure basis for allosteric regulation of lymphocytic choriomeningitis virus polymerase function by Z matrix protein.
Protein Cell, 14, 2023
4GO5
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BU of 4go5 by Molmil
The regulatory subunit of aspartate kinase from Mycobacterium tuberculosis
Descriptor: Aspartokinase
Authors:Yang, Q, Li, X.
Deposit date:2012-08-18
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis.
Protein Cell, 2, 2011
4GO7
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BU of 4go7 by Molmil
The regulatory subunit of aspartate kinase in complex with threonine from Mycobacterium tuberculosis
Descriptor: Aspartokinase, THREONINE
Authors:Yang, Q, Li, X.
Deposit date:2012-08-19
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis.
Protein Cell, 2, 2011
7KI6
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BU of 7ki6 by Molmil
Structure of the HeV F glycoprotein in complex with the 1F5 neutralizing antibody
Descriptor: 1F5 Fab light chain, 1F5 heavy chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dang, H.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2020-10-23
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibody cocktails targeting Nipah virus and Hendra virus fusion glycoproteins.
Nat.Struct.Mol.Biol., 28, 2021
7KI4
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BU of 7ki4 by Molmil
Structure of the NiV F glycoprotein in complex with the 12B2 neutralizing antibody
Descriptor: 12B2 Fab light chain, 12B2 heavy chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dang, H.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2020-10-23
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Broadly neutralizing antibody cocktails targeting Nipah virus and Hendra virus fusion glycoproteins.
Nat.Struct.Mol.Biol., 28, 2021
1JQD
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BU of 1jqd by Molmil
Crystal Structure Analysis of Human Histamine Methyltransferase (Thr105 Polymorphic Variant) Complexed with AdoHcy and Histamine
Descriptor: HISTAMINE, Histamine N-Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Horton, J.R, Sawada, K, Nishibori, M, Zhang, X, Cheng, X.
Deposit date:2001-08-06
Release date:2002-08-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Two polymorphic forms of human histamine methyltransferase: structural, thermal, and kinetic comparisons.
Structure, 9, 2001
1JQE
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BU of 1jqe by Molmil
Crystal Structure Analysis of Human Histamine Methyltransferase (Ile105 Polymorphic Variant) Complexed with AdoHcy and Antimalarial Drug Quinacrine
Descriptor: Histamine N-Methyltransferase, QUINACRINE, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Horton, J.R, Sawada, K, Nishibori, M, Zhang, X, Cheng, X.
Deposit date:2001-08-06
Release date:2002-08-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Two polymorphic forms of human histamine methyltransferase: structural, thermal, and kinetic comparisons.
Structure, 9, 2001
6L42
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BU of 6l42 by Molmil
Structure of severe fever with thrombocytopenia syndrome virus L protein
Descriptor: MAGNESIUM ION, RNA polymerase
Authors:Wang, P, Lou, Z.
Deposit date:2019-10-15
Release date:2020-05-13
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of severe fever with thrombocytopenia syndrome virus L protein elucidates the mechanisms of viral transcription initiation.
Nat Microbiol, 5, 2020

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