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1B4R
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BU of 1b4r by Molmil
PKD DOMAIN 1 FROM HUMAN POLYCYSTEIN-1
Descriptor: PROTEIN (PKD1_HUMAN)
Authors:Bycroft, M.
Deposit date:1998-12-28
Release date:1999-01-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of a PKD domain from polycystin-1: implications for polycystic kidney disease.
EMBO J., 18, 1999
1JLQ
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BU of 1jlq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94
Descriptor: 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-08-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
J.Med.Chem., 44, 2001
3LUO
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BU of 3luo by Molmil
Crystal Structure and functional characterization of the thermophilic prolyl isomerase and chaperone SlyD
Descriptor: Peptidyl-prolyl cis-trans isomerase, Suc-Ala-Leu-Pro-Phe-pNA, ZINC ION
Authors:Loew, C, Neumann, P, Weininger, U, Stubbs, M.T, Balbach, J.
Deposit date:2010-02-18
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus
J.Mol.Biol., 398, 2010
7SLV
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BU of 7slv by Molmil
Vanin-1 complexed with Compound 3
Descriptor: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
Authors:Vajdos, F.F.
Deposit date:2021-10-25
Release date:2022-01-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7SLY
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BU of 7sly by Molmil
Vanin-1 complexed with Compound 27
Descriptor: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
Authors:Vajdos, F.F.
Deposit date:2021-10-25
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7SLX
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BU of 7slx by Molmil
Vanin-1 complexed with Compound 11
Descriptor: (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
Authors:Vajdos, F.F.
Deposit date:2021-10-25
Release date:2022-01-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
1C3I
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BU of 1c3i by Molmil
HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor: 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ...
Authors:Steele, D.L, Kammlott, R.U, Crowther, R.L, Birktoft, J.J, Dunten, P, Engler, J.E.
Deposit date:1999-07-27
Release date:2000-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
5EF9
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BU of 5ef9 by Molmil
Structure of Influenza B Lee PB2 cap-binding domain
Descriptor: Polymerase basic protein 2
Authors:Ma, X, Shia, S.
Deposit date:2015-10-23
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit.
J.Biol.Chem., 291, 2016
8D14
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BU of 8d14 by Molmil
Helical ADP-Pi-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D18
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BU of 8d18 by Molmil
Straight ADP-F-actin 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
5EFA
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BU of 5efa by Molmil
Structure of Influenza B Lee PB2 cap-binding domain bound to m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Polymerase basic protein 2
Authors:Ma, X, Shia, S.
Deposit date:2015-10-23
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit.
J.Biol.Chem., 291, 2016
8D15
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BU of 8d15 by Molmil
Bent ADP-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D13
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BU of 8d13 by Molmil
Helical ADP-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D16
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BU of 8d16 by Molmil
Bent ADP-Pi-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D17
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BU of 8d17 by Molmil
Straight ADP-F-actin 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
5EFC
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BU of 5efc by Molmil
Structure of Influenza B Lee PB2 cap-binding domain bound to GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Polymerase basic protein 2
Authors:Ma, X, Shia, S.
Deposit date:2015-10-23
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit.
J.Biol.Chem., 291, 2016
8CUG
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BU of 8cug by Molmil
Synthetic epi-Novo29 (2R,3S), synchrotron structure
Descriptor: ACETATE ION, Synthetic epi-Novo29 (2R,3S)
Authors:Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
Deposit date:2022-05-17
Release date:2023-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.131 Å)
Cite:Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
8CUF
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BU of 8cuf by Molmil
Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure
Descriptor: ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S)
Authors:Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
Deposit date:2022-05-17
Release date:2023-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
1C8T
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BU of 1c8t by Molmil
HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812
Descriptor: 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ...
Authors:Steele, D.L, el-Kabbani, O, Dunten, P, Crowther, R.L.
Deposit date:1999-07-29
Release date:2000-07-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
1AMA
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BU of 1ama by Molmil
DOMAIN CLOSURE IN MITOCHONDRIAL ASPARTATE AMINOTRANSFERASE
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, ASPARTATE AMINOTRANSFERASE
Authors:Vincent, M.G, Genovesio-Taverne, J.-C, Jansonius, J.N.
Deposit date:1992-02-05
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Domain closure in mitochondrial aspartate aminotransferase.
J.Mol.Biol., 227, 1992
1BTV
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BU of 1btv by Molmil
STRUCTURE OF BET V 1, NMR, 20 STRUCTURES
Descriptor: BET V 1
Authors:Osmark, P, Poulsen, F.M, Gajhede, M, Larsen, J.N, Spangfort, M.D.
Deposit date:1997-01-30
Release date:1997-08-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:X-ray and NMR structure of Bet v 1, the origin of birch pollen allergy.
Nat.Struct.Biol., 3, 1996
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014

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