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4LAJ
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BU of 4laj by Molmil
Crystal structure of HIV-1 YU2 envelope gp120 glycoprotein in complex with CD4-mimetic miniprotein, M48U1, and llama single-domain, broadly neutralizing, co-receptor binding site antibody, JM4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ...
著者Acharya, P, Luongo, T.S, Kwong, P.D.
登録日2013-06-20
公開日2013-08-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Heavy Chain-Only IgG2b Llama Antibody Effects Near-Pan HIV-1 Neutralization by Recognizing a CD4-Induced Epitope That Includes Elements of Coreceptor- and CD4-Binding Sites.
J.Virol., 87, 2013
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
3TM1
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BU of 3tm1 by Molmil
Crystal structure of mature ThnT, a pantetheine hydrolase
分子名称: GLYCEROL, cysteine transferase
著者Schildbach, J.F, Wright, N.T, Buller, A.R.
登録日2011-08-30
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
1H8H
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BU of 1h8h by Molmil
Bovine mitochondrial F1-ATPase crystallised in the presence of 5mm AMPPNP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, ...
著者Braig, K, Menz, R.I, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2001-02-06
公開日2001-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Structure and Nucleotide Occupancy of Bovine Mitochondrial F(1)-ATPase are not Influenced by Crystallisation at High Concentrations of Nucleotide
FEBS Lett., 494, 2001
6X7L
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BU of 6x7l by Molmil
LnmK in complex with 2-nitronate-propionyl-CoA
分子名称: ALANINE, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, ...
著者Stunkard, L.M, Kick, B.J, Lohman, J.R.
登録日2020-05-30
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
4V3V
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BU of 4v3v by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine
分子名称: 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4V3Y
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BU of 4v3y by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine
分子名称: 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4V3X
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BU of 4v3x by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine
分子名称: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3DEA
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BU of 3dea by Molmil
Glomerella cingulata PETFP-cutinase complex
分子名称: 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase
著者Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
登録日2008-06-09
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3DH6
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BU of 3dh6 by Molmil
Crystal structure of bovine pancreatic ribonuclease A variant (V47A)
分子名称: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
著者Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K.
登録日2008-06-17
公開日2008-07-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
8GQA
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BU of 8gqa by Molmil
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide analog MslAdeltaW21
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
著者Nakashima, Y, Morita, H.
登録日2022-08-29
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
3JQ0
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BU of 3jq0 by Molmil
Crystal structure of SusD superfamily protein (YP_001299712.1) from Bacteroides vulgatus ATCC 8482 at 1.13 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-09-04
公開日2009-09-22
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structure of SusD superfamily protein (YP_001299712.1) from Bacteroides vulgatus ATCC 8482 at 1.13 A resolution
To be published
8HAR
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BU of 8har by Molmil
SAH-bound C-Methyltransferase Fur6 from Streptomyces sp. KO-3988
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Fur6, S-ADENOSYL-L-HOMOCYSTEINE
著者Noguchi, T, Nagata, R, Tomita, T, Kuzuyama, T.
登録日2022-10-26
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Reductive biosynthesis of meroterpenoids via transient diazotization
To Be Published
8F3K
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BU of 8f3k by Molmil
Anti-CRISPR protein AcrIIC5 inhibits CRISPR-Cas9 by acting as a DNA mimic
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRIIC5Nch, AMMONIUM ION, ...
著者Shah, M, Sungwon, H, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
登録日2022-11-10
公開日2023-03-08
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Anti-CRISPR Protein AcrIIC5 Inhibits CRISPR-Cas9 by Occupying the Target DNA Binding Pocket.
J.Mol.Biol., 435, 2023
8I4D
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BU of 8i4d by Molmil
X-ray structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex at 100K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ...
著者Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S.
登録日2023-01-19
公開日2024-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
4HPY
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BU of 4hpy by Molmil
Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide
分子名称: CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ...
著者McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
登録日2012-10-24
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
2FVF
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BU of 2fvf by Molmil
Structure of 10:0-ACP (protein with docked fatty acid)
分子名称: 4'-PHOSPHOPANTETHEINE, Acyl Carrier Protein, DECANOIC ACID
著者Zornetzer, G.A, Fox, B.G, Markley, J.L.
登録日2006-01-30
公開日2006-04-11
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structures of spinach acyl carrier protein with decanoate and stearate
Biochemistry, 45, 2006
1EKV
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BU of 1ekv by Molmil
HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL): THREE DIMENSIONAL STRUCTURE OF ENZYME INACTIVATED BY TRIS BOUND TO THE PYRIDOXAL-5'-PHOSPHATE ON ONE END AND ACTIVE SITE LYS202 NZ ON THE OTHER.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE
著者Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K.
登録日2000-03-09
公開日2001-03-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The structure of human mitochondrial branched-chain aminotransferase.
Acta Crystallogr.,Sect.D, 57, 2001
1EXZ
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BU of 1exz by Molmil
STRUCTURE OF STEM CELL FACTOR
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, SAMARIUM (III) ION, ...
著者Zhang, Z, Zhang, R, Joachimiak, A, Schlessinger, J, Kong, X.
登録日2000-05-05
公開日2000-07-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human stem cell factor: implication for stem cell factor receptor dimerization and activation.
Proc.Natl.Acad.Sci.USA, 97, 2000
5SKC
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BU of 5skc by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-methyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
分子名称: 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Vieira, E, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
7D8V
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BU of 7d8v by Molmil
Crystal Structure of A Kinesin-3 KIF13B mutant-T192Y
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin family member 13B, ...
著者Ren, J.Q, Feng, W.
登録日2020-10-10
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Motor domain-mediated autoinhibition dictates axonal transport by the kinesin UNC-104/KIF1A.
Plos Genet., 17, 2021
4D35
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BU of 4d35 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine
分子名称: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3NSG
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BU of 3nsg by Molmil
Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi
分子名称: CITRATE ANION, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Balasubramaniam, D, Arockiasamy, A, Sharma, A, Krishnaswamy, S.
登録日2010-07-01
公開日2011-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Asymmetric pore occupancy in crystal structure of OmpF porin from Salmonella typhi
J.Struct.Biol., 178, 2012
4D36
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BU of 4d36 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine
分子名称: 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3Q3T
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BU of 3q3t by Molmil
Alkyl Amine Renin Inhibitors: Filling S1 from S3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Wu, Z, McKeever, B.
登録日2010-12-22
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket.
Bioorg.Med.Chem.Lett., 21, 2011

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