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5D38
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BU of 5d38 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
Descriptor: De novo kemp eliminase KE07 round 7-2
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.427 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
To Be Published
5D32
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BU of 5d32 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
Descriptor: De novo kemp eliminase KE07 round 6
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
To Be Published
5DG5
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BU of 5dg5 by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157
Descriptor: Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
Authors:Smith, B.D, Kaufman, M.D, Leary, C.B, Turner, B.A, Wise, S.A, Ahn, Y.M, Booth, R.J, Caldwell, T.M, Ensinger, C.L, Hood, M.M, Lu, W.-P, Patt, T.W, Patt, W.C, Rutkoski, T.J, Samarakoon, T, Telikepalli, H, Vogeti, L, Vogeti, S, Yates, K.M, Chun, L, Stewart, L.J, Clare, M, Flynn, D.L.
Deposit date:2015-08-27
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance via Balanced Inhibition of MET, TIE2, and VEGFR2.
Mol.Cancer Ther., 14, 2015
5CY0
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BU of 5cy0 by Molmil
Total Chemical Synthesis, Covalent Structure Verification, and X-ray Structure of Bioactive Ts3 Toxin by Racemic Protein Crystallography
Descriptor: GLYCEROL, Ts3 Toxin
Authors:Dang, B, Kubota, T, Mandal, K, Correa, A.M, Bezanilla, F, Kent, S.B.
Deposit date:2015-07-29
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Elucidation of the Covalent and Tertiary Structures of Biologically Active Ts3 Toxin.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D37
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BU of 5d37 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
Descriptor: De novo kemp eliminase KE07 round 7
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
To Be Published
5DLZ
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BU of 5dlz by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide
Descriptor: Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
Authors:Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2015-09-07
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
Descriptor: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
Authors:Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
Deposit date:2021-08-10
Release date:2021-10-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
2HD7
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BU of 2hd7 by Molmil
Solution structure of C-teminal domain of twinfilin-1.
Descriptor: Twinfilin-1
Authors:Hellman, M.H, Paavilainen, V.O, Annila, A, Lappalainen, P, Permi, P.I.
Deposit date:2006-06-20
Release date:2007-02-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis and evolutionary origin of actin filament capping by twinfilin
Proc.Natl.Acad.Sci.Usa, 104, 2007
3MQY
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BU of 3mqy by Molmil
SgrAI with cleaved DNA and Magnesium bound
Descriptor: DNA (5'-D(*GP*AP*GP*TP*CP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*GP*TP*GP*GP*AP*CP*TP*C)-3'), MAGNESIUM ION, ...
Authors:Dunten, P.W, Horton, N.C, Little, E.J.
Deposit date:2010-04-28
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA.
Acta Crystallogr.,Sect.D, 67, 2011
2DC1
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BU of 2dc1 by Molmil
Crystal Structure Of L-Aspartate Dehydrogenase From Hyperthermophilic Archaeon Archaeoglobus fulgidus
Descriptor: CITRIC ACID, L-aspartate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yoneda, K, Sakuraba, H, Tsuge, H, Ohshima, T.
Deposit date:2005-12-19
Release date:2006-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of archaeal highly thermostable L-aspartate dehydrogenase/NAD/citrate ternary complex.
Febs J., 274, 2007
1JOL
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BU of 1jol by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Lee, H, Reyes, V.M, Kraut, J.
Deposit date:1996-02-25
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
1JOM
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BU of 1jom by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Reyes, V.M, Lee, H, Kraut, J.
Deposit date:1996-02-25
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
7A3M
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BU of 7a3m by Molmil
Synergistic stabilization of a double mutant in CI2 from an in-cell library screen
Descriptor: Subtilisin-chymotrypsin inhibitor-2A
Authors:Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
4PQU
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BU of 4pqu by Molmil
Crystal structure of HIV-1 Reverse Transcriptase in complex with RNA/DNA and dATP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', ...
Authors:Das, K, Bandwar, R.P, Arnold, E.
Deposit date:2014-03-04
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
1HAN
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BU of 1han by Molmil
CRYSTAL STRUCTURE OF THE BIPHENYL-CLEAVING EXTRADIOL DIOXYGENASE FROM A PCB-DEGRADING PSEUDOMONAD
Descriptor: 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, FE (III) ION, TERTIARY-BUTYL ALCOHOL
Authors:Han, S, Bolin, J.T.
Deposit date:1995-08-30
Release date:1995-11-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the biphenyl-cleaving extradiol dioxygenase from a PCB-degrading pseudomonad.
Science, 270, 1995
5E4R
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BU of 5e4r by Molmil
Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H.
Deposit date:2015-10-07
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
5CZL
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BU of 5czl by Molmil
Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
Descriptor: Glucanase, PHOSPHATE ION
Authors:Scapin, S.M.N, Souza, F.H.M, Zanphorlin, L.M, Almeida, T.S, Sade, Y.B, Cardoso, A.M, Pinheiro, G.L, Murakami, M.T.
Deposit date:2015-07-31
Release date:2016-08-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
To Be Published
8BHF
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BU of 8bhf by Molmil
Cryo-EM structure of stalled rabbit 80S ribosomes in complex with human CCR4-NOT and CNOT4
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S11, ...
Authors:Absmeier, E, Chandrasekaran, V, O'Reilly, F.J, Stowell, J.A.W, Rappsilber, J, Passmore, L.A.
Deposit date:2022-10-31
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
5D30
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BU of 5d30 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
Descriptor: De novo kemp eliminase KE07 round 5
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
To Be Published
8FJZ
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BU of 8fjz by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Descriptor: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:McTigue, M, Johnson, E, Cronin, C.
Deposit date:2022-12-20
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP3
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BU of 8fp3 by Molmil
PKCeta kinase domain in complex with compound 11
Descriptor: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
Authors:Johnson, E.
Deposit date:2023-01-03
Release date:2023-04-05
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FH4
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BU of 8fh4 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
Descriptor: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
Authors:McTigue, M, Johnson, E, Cronin, C.
Deposit date:2022-12-13
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FKO
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BU of 8fko by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Descriptor: (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:McTigue, M, Johnson, E, Cronin, C.
Deposit date:2022-12-21
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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BU of 8fp1 by Molmil
PKCeta kinase domain in complex with compound 2
Descriptor: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
Authors:Johnson, E.
Deposit date:2023-01-03
Release date:2023-04-05
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
5D6B
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BU of 5d6b by Molmil
Human fumarase (wild type)
Descriptor: Fumarate hydratase, mitochondrial
Authors:Pereira de Padua, R.A, Nonato, M.C.
Deposit date:2015-08-11
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of recombinant human fumarase.
Acta Crystallogr F Struct Biol Commun, 70, 2014

223532

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