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2W6Y
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Crystal structure of Sperm Whale Myoglobin mutant YQR in complex with Xenon
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:When the Same Fold Does not Mean the Same Function: The Case of Xenon Cavities in Hemoglobin and Myoglobin
To be Published
2W2V
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BU of 2w2v by Molmil
Rac2 (G12V) in complex with GTPgS
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2
Authors:Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H.
Deposit date:2008-11-04
Release date:2009-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Mol.Cell, 34, 2009
7WB8
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BU of 7wb8 by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Methoxytryptamine at Room Temperature
Descriptor: 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
2W2T
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Rac2 (G12V) in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2
Authors:Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H.
Deposit date:2008-11-04
Release date:2009-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Mol.Cell, 34, 2009
7WB9
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BU of 7wb9 by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature
Descriptor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
7WB6
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BU of 7wb6 by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Bromobenzamidine at Room Temperature
Descriptor: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
7WA2
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BU of 7wa2 by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature
Descriptor: 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-11
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
7WA0
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Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-11
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
7WBA
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BU of 7wba by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
7WB7
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BU of 7wb7 by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
2W1L
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BU of 2w1l by Molmil
THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 0.979 a wavelength 991 images data
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Cianci, M, Helliwell, J.R, Suzuki, A.
Deposit date:2008-10-17
Release date:2008-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
2VR7
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BU of 2vr7 by Molmil
Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.58 A resolution
Descriptor: COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ...
Authors:Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J.
Deposit date:2008-03-28
Release date:2008-04-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
7VZF
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BU of 7vzf by Molmil
Cryo-EM structure of amyloid fibril formed by full-length human SOD1
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Wang, L.Q, Ma, Y.Y, Yuan, H.Y, Zhao, K, Zhang, M.Y, Wang, Q, Huang, X, Xu, W.C, Chen, J, Li, D, Zhang, D.L, Zou, L.Y, Yin, P, Liu, C, Liang, Y.
Deposit date:2021-11-16
Release date:2022-06-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-EM structure of an amyloid fibril formed by full-length human SOD1 reveals its conformational conversion.
Nat Commun, 13, 2022
2WEB
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BU of 2web by Molmil
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
Descriptor: METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ...
Authors:Ding, J, Fraser, M.E, James, M.N.G.
Deposit date:1998-02-03
Release date:1998-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
2VUV
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BU of 2vuv by Molmil
Crystal structure of Codakine at 1.3A resolution
Descriptor: CALCIUM ION, CITRIC ACID, CODAKINE, ...
Authors:Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A.
Deposit date:2008-05-30
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
2VRY
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BU of 2vry by Molmil
Mouse Neuroglobin with heme iron in the reduced ferrous state
Descriptor: NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Arcovito, A, Moschetti, T, D'Angelo, P, Mancini, G, Vallone, B, Brunori, M, Della Longa, S.
Deposit date:2008-04-16
Release date:2008-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin.
Arch.Biochem.Biophys., 475, 2008
2W0A
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BU of 2w0a by Molmil
CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Descriptor: CYTOCHROME P450 51, N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3, 2009
7WM3
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BU of 7wm3 by Molmil
hnRNP A2/B1 RRMs in complex with single-stranded DNA
Descriptor: DNA (5'-D(P*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), Heterogeneous nuclear ribonucleoproteins A2/B1
Authors:Abula, A, Liu, Y, Guo, H, Li, T, Ji, X.
Deposit date:2022-01-14
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Insight Into hnRNP A2/B1 Homodimerization and DNA Recognition.
J.Mol.Biol., 435, 2022
7WEX
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BU of 7wex by Molmil
The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis
Descriptor: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, L.-H, Lin, S, Gao, L.
Deposit date:2021-12-24
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The 16 alpha-Hydroxylation of Progesterone by Cytochrome P450 107X1 from Streptomyces avermitilis.
Chem.Biodivers., 19, 2022
7WQL
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BU of 7wql by Molmil
Bovin Beta-lactoglobulin binding with zinc ions
Descriptor: Beta-lactoglobulin, ZINC ION
Authors:Li, T, Ma, J, Zang, J, Zhao, G, Zhang, T.
Deposit date:2022-01-25
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Zinc binding strength of proteins dominants zinc uptake in Caco-2 cells.
Rsc Adv, 12, 2022
7WQG
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BU of 7wqg by Molmil
Bovin Alpha-lactalbumin binding with zinc ions
Descriptor: Alpha-lactalbumin, ZINC ION
Authors:Li, T, Zhang, T.
Deposit date:2022-01-25
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zinc binding strength of proteins dominants zinc uptake in Caco-2 cells.
Rsc Adv, 12, 2022
7WHU
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BU of 7whu by Molmil
Human Neutrophil Elastase in-complex with Ecotin Peptide
Descriptor: 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, Ecotin Peptide, ...
Authors:Shankar, S, Jayaraman, S.
Deposit date:2021-12-31
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide
Protein Sci., 31, 2022
2W1X
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BU of 2w1x by Molmil
The interdependence of wavelength, redundancy and dose in sulfur SAD experiments: 1.284 A wavelength 360 images data
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Cianci, M, Helliwell, J.R, Suzuki, A.
Deposit date:2008-10-21
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
2VNN
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BU of 2vnn by Molmil
Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Authors:Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2W5G
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BU of 2w5g by Molmil
RNASE A-5'-ATP COMPLEX
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC
Authors:Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R.
Deposit date:2008-12-10
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Influence of Naturally-Occurring 5'-Pyrophosphate- Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study.
Biopolymers, 91, 2009

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