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8H7C
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BU of 8h7c by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative
Descriptor: ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ...
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H7E
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BU of 8h7e by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution
Descriptor: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H7D
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BU of 8h7d by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T)
Descriptor: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
1VCX
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BU of 1vcx by Molmil
Neutron Crystal Structure of the Wild Type Rubredoxin from Pyrococcus Furiosus at 1.5A Resolution
Descriptor: FE (III) ION, Rubredoxin
Authors:Kurihara, K, Tanaka, I, Chatake, T, Adams, M.W.W, Jenney Jr, F.E, Moiseeva, N, Bau, R, Niimura, N.
Deposit date:2004-03-17
Release date:2004-08-10
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.5 Å)
Cite:Neutron crystallographic study on rubredoxin from Pyrococcus furiosus by BIX-3, a single-crystal diffractometer for biomacromolecules
Proc.Natl.Acad.Sci.USA, 101, 2004
3OTJ
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BU of 3otj by Molmil
A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement
Descriptor: CALCIUM ION, Cationic trypsin, Pancreatic trypsin inhibitor, ...
Authors:Kawamura, K, Yamada, T, Kurihara, K, Tamada, T, Kuroki, R, Tanaka, I, Takahashi, H, Niimura, N.
Deposit date:2010-09-12
Release date:2011-01-26
Last modified:2017-11-08
Method:NEUTRON DIFFRACTION (2.15 Å), X-RAY DIFFRACTION
Cite:X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex.
Acta Crystallogr.,Sect.D, 67, 2011
4GPG
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BU of 4gpg by Molmil
X/N joint refinement of Achromobacter Lyticus Protease I free form at pD8.0
Descriptor: Protease 1
Authors:Ohnishi, Y, Yamada, T, Kurihara, K, Tanaka, I, Sakiyama, F, Masaki, T, Niimura, N.
Deposit date:2012-08-21
Release date:2013-09-11
Last modified:2023-11-08
Method:NEUTRON DIFFRACTION (1.895 Å), X-RAY DIFFRACTION
Cite:Neutron and X-ray crystallographic analysis of Achromobacter protease I at pD 8.0: protonation states and hydration structure in the free-form.
Biochim.Biophys.Acta, 1834, 2013
6L9C
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BU of 6l9c by Molmil
Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T.
Deposit date:2019-11-08
Release date:2020-04-29
Last modified:2023-11-22
Method:NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION
Cite:Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.
Proc.Natl.Acad.Sci.USA, 117, 2020
8K9N
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BU of 8k9n by Molmil
Subatomic resolution structure of Pseudoazurin from Alcaligenes faecalis
Descriptor: COPPER (II) ION, Pseudoazurin, SULFATE ION
Authors:Fukuda, Y, Lintuluoto, M, Kurihara, K, Hasegawa, K, Inoue, T, Tamada, T.
Deposit date:2023-08-01
Release date:2024-02-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Overlooked Hydrogen Bond in a Blue Copper Protein Uncovered by Neutron and Sub- angstrom ngstrom Resolution X-ray Crystallography.
Biochemistry, 63, 2024
8K9P
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BU of 8k9p by Molmil
Neutron X-ray joint structure of pseudoazurin from Alcaligenes faecalis
Descriptor: COPPER (II) ION, Pseudoazurin, SULFATE ION
Authors:Fukuda, Y, Kurihara, K, Inoue, T, Tamada, T.
Deposit date:2023-08-01
Release date:2024-02-14
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Overlooked Hydrogen Bond in a Blue Copper Protein Uncovered by Neutron and Sub- angstrom ngstrom Resolution X-ray Crystallography.
Biochemistry, 63, 2024
3U2J
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BU of 3u2j by Molmil
Neutron crystal structure of human Transthyretin
Descriptor: Transthyretin
Authors:Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
Deposit date:2011-10-03
Release date:2012-02-22
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
3U2I
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BU of 3u2i by Molmil
X-ray crystal structure of human Transthyretin at room temperature
Descriptor: Transthyretin
Authors:Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
Deposit date:2011-10-03
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
3VXF
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BU of 3vxf by Molmil
X/N Joint refinement of Human alpha-thrombin-Bivalirudin complex PD5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BIVALIRUDIN, Thrombin heavy chain, ...
Authors:Yamada, T, Kurihara, K, Masumi, K, Tamada, T, Tomoyori, K, Ohnishi, Y, Tanaka, I, Kuroki, R, Niimura, N.
Deposit date:2012-09-12
Release date:2013-09-04
Last modified:2020-07-29
Method:NEUTRON DIFFRACTION (1.602 Å), X-RAY DIFFRACTION
Cite:Neutron and X-ray crystallographic analysis of the human alpha-thrombin-bivalirudin complex at pD 5.0: protonation states and hydration structure of the enzyme-product complex
Biochim.Biophys.Acta, 1834, 2013
3VXE
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BU of 3vxe by Molmil
Human alpha-thrombin-Bivalirudin complex at PD5.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BIVALIRUDIN, Thrombin heavy chain, ...
Authors:Yamada, T, Kurihara, K, Masumi, K, Tamada, T, Tomoyori, K, Ohnishi, Y, Tanaka, I, Kuroki, R, Niimura, N.
Deposit date:2012-09-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Neutron and X-ray crystallographic analysis of the human alpha-thrombin-bivalirudin complex at pD 5.0: protonation states and hydration structure of the enzyme-product complex
Biochim.Biophys.Acta, 1834, 2013
3WA3
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BU of 3wa3 by Molmil
Crystal structure of copper amine oxidase from arthrobacter globiformis in N2 condition
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
3WA2
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BU of 3wa2 by Molmil
High resolution crystal structure of copper amine oxidase from arthrobacter globiformis
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
3FHP
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BU of 3fhp by Molmil
A neutron crystallographic analysis of a porcine 2Zn insulin at 2.0 A resolution
Descriptor: Insulin, ZINC ION
Authors:Iwai, W, Kurihara, K, Yamada, T, Kobayashi, Y, Ohnishi, Y, Tanaka, I, Takahashi, H, Niimura, N.
Deposit date:2008-12-09
Release date:2009-10-20
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2 Å)
Cite:A neutron crystallographic analysis of T6 porcine insulin at 2.1 A resolution
Acta Crystallogr.,Sect.D, 65, 2009
1IU5
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BU of 1iu5 by Molmil
X-ray Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus
Descriptor: FE (III) ION, rubredoxin
Authors:Chatake, T, Kurihara, K, Tanaka, I, Tsyba, I, Bau, R, Jenney, F.E, Adams, M.W.W, Niimura, N.
Deposit date:2002-02-27
Release date:2002-08-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A neutron crystallographic analysis of a rubredoxin mutant at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
1IU6
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BU of 1iu6 by Molmil
Neutron Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus
Descriptor: FE (III) ION, rubredoxin
Authors:Chatake, T, Kurihara, K, Tanaka, I, Tsyba, I, Bau, R, Jenney, F.E, Adams, M.W.W, Niimura, N.
Deposit date:2002-02-27
Release date:2002-08-27
Last modified:2023-12-27
Method:NEUTRON DIFFRACTION (1.6 Å)
Cite:A neutron crystallographic analysis of a rubredoxin mutant at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
3VTE
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BU of 3vte by Molmil
Crystal structure of tetrahydrocannabinolic acid synthase from Cannabis sativa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Tetrahydrocannabinolic acid synthase
Authors:Shoyama, Y, Tamada, T, Kurihara, K, Takeuchi, A, Taura, F, Arai, S, Blaber, M, Shoyama, Y, Morimoto, S, Kuroki, R.
Deposit date:2012-05-28
Release date:2012-07-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure and function of 1-tetrahydrocannabinolic acid (THCA) synthase, the enzyme controlling the psychoactivity of Cannabis sativa
J.Mol.Biol., 423, 2012
1WQZ
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BU of 1wqz by Molmil
Complicated water orientations in the minor groove of B-DNA decamer D(CCATTAATGG)2 observed by neutron diffraction measurements
Descriptor: 5'-D(*CP*CP*AP*TP*TP*AP*AP*TP*GP*G)-3'
Authors:Arai, S, Chatake, T, Ohhara, T, Kurihara, K, Tanaka, I, Suzuki, N, Fujimoto, Z, Mizuno, H, Niimura, N.
Deposit date:2004-10-07
Release date:2005-06-21
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (3 Å)
Cite:Complicated water orientations in the minor groove of the B-DNA decamer d(CCATTAATGG)2 observed by neutron diffraction measurements
Nucleic Acids Res., 33, 2005
1WQY
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BU of 1wqy by Molmil
X-RAY structural analysis of B-DNA decamer D(CCATTAATGG)2 crystal grown in D2O solution
Descriptor: 5'-D(*CP*CP*AP*TP*TP*AP*AP*TP*GP*G)-3'
Authors:Arai, S, Chatake, T, Ohhara, T, Kurihara, K, Tanaka, I, Suzuki, N, Fujimoto, Z, Mizuno, H, Niimura, N.
Deposit date:2004-10-07
Release date:2005-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complicated water orientations in the minor groove of the B-DNA decamer d(CCATTAATGG)2 observed by neutron diffraction measurements
Nucleic Acids Res., 33, 2005
8W6X
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BU of 8w6x by Molmil
Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Hiromoto, T, Tamada, T.
Deposit date:2023-08-30
Release date:2023-09-13
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION
Cite:New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
3HGN
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BU of 3hgn by Molmil
Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by neutron crystallography
Descriptor: 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ...
Authors:Tamada, T, Kinoshita, T, Kuroki, R, Tada, T.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
Cite:Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond
J.Am.Chem.Soc., 131, 2009
3HGP
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BU of 3hgp by Molmil
Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography
Descriptor: 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ...
Authors:Tamada, T, Kinoshita, T, Kuroki, R, Tada, T.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond
J.Am.Chem.Soc., 131, 2009
5GX9
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BU of 5gx9 by Molmil
PYP mutant - E46Q
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Yonezawa, K.
Deposit date:2016-09-16
Release date:2017-08-30
Last modified:2023-11-08
Method:NEUTRON DIFFRACTION (1.493 Å)
Cite:Neutron crystallography of photoactive yellow protein reveals unusual protonation state of Arg52 in the crystal
Sci Rep, 7, 2017

 

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