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1HDA
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A NOVEL ALLOSTERIC MECHANISM IN HAEMOGLOBIN. STRUCTURE OF BOVINE DEOXYHAEMOGLOBIN, ABSENCE OF SPECIFIC CHLORIDE-BINDING SITES AND ORIGIN OF THE CHLORIDE-LINKED BOHR EFFECT IN BOVINE AND HUMAN HAEMOGLOBIN
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Fermi, G.
Deposit date:1993-05-06
Release date:1994-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel allosteric mechanism in haemoglobin. Structure of bovine deoxyhaemoglobin, absence of specific chloride-binding sites and origin of the chloride-linked Bohr effect in bovine and human haemoglobin.
J.Mol.Biol., 233, 1993
7S34
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Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2021-09-04
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
1HDP
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SOLUTION STRUCTURE OF A POU-SPECIFIC HOMEODOMAIN: 3D-NMR STUDIES OF HUMAN B-CELL TRANSCRIPTION FACTOR OCT-2
Descriptor: OCT-2 POU HOMEODOMAIN
Authors:Sivaraja, M, Botfield, M.C, Mueller, M, Jancso, A, Weiss, M.A.
Deposit date:1994-03-08
Release date:1995-01-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of a POU-specific homeodomain: 3D-NMR studies of human B-cell transcription factor Oct-2.
Biochemistry, 33, 1994
1HB0
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Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes
Descriptor: CALCIUM ION, ELASTASE 1, SULFATE ION
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
7S35
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BU of 7s35 by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2021-09-04
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S2U
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BU of 7s2u by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2021-09-03
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S2E
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BU of 7s2e by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G, Ribeiro, F.S.
Deposit date:2021-09-03
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
1HEM
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BU of 1hem by Molmil
STRUCTURAL AND THERMODYNAMIC ANALYSIS OF COMPENSATING MUTATIONS WITHIN THE CORE OF CHICKEN EGG WHITE LYSOZYME
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Wilson, K.P, Malcolm, B.A, Matthews, B.W.
Deposit date:1992-01-10
Release date:1993-10-31
Last modified:2021-06-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic analysis of compensating mutations within the core of chicken egg white lysozyme.
J.Biol.Chem., 267, 1992
7S84
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BU of 7s84 by Molmil
Crystal structure of CDK2 liganded with compound TW8972
Descriptor: 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
1HER
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BU of 1her by Molmil
STRUCTURAL AND THERMODYNAMIC ANALYSIS OF COMPENSATING MUTATIONS WITHIN THE CORE OF CHICKEN EGG WHITE LYSOZYME
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Wilson, K.P, Malcolm, B.A, Matthews, B.W.
Deposit date:1992-01-10
Release date:1993-10-31
Last modified:2021-06-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic analysis of compensating mutations within the core of chicken egg white lysozyme.
J.Biol.Chem., 267, 1992
7S2Q
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BU of 7s2q by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2021-09-03
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S31
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BU of 7s31 by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2021-09-04
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
1H01
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CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor
Descriptor: (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E.
Deposit date:2002-06-10
Release date:2003-07-11
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
7S7A
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BU of 7s7a by Molmil
Crystal structure of CDK2 liganded with compound EF3019
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-15
Release date:2022-09-28
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S85
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BU of 7s85 by Molmil
Crystal structure of CDK2 liganded with compound WN316
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
1HFD
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BU of 1hfd by Molmil
HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
Descriptor: COMPLEMENT FACTOR D
Authors:Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
Deposit date:1998-06-18
Release date:1999-06-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
1HFN
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BU of 1hfn by Molmil
NMR solution structures of vMIP-II 1-71 from Kaposi's sarcoma-associated herpesvirus.
Descriptor: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
Authors:Crump, M.P, Elisseeva, E, Gong, J.-H, Clark-Lewis, I, Sykes, B.D.
Deposit date:2000-12-07
Release date:2001-01-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10)
FEBS Lett., 489, 2001
1H52
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BU of 1h52 by Molmil
Binding of Phosphate and Pyrophosphate ions at the active site of human Angiogenin as revealed by X-ray Crystallography
Descriptor: ANGIOGENIN, PYROPHOSPHATE 2-
Authors:Leonidas, D.D, Chavali, G.B, Jardine, A.M, Li, S, Shapiro, R, Acharya, K.R.
Deposit date:2001-05-18
Release date:2001-08-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of Phosphate and Pyrophosphate Ions at the Active Site of Human Angiogenin as Revealed by X-Ray Crystallography
Protein Sci., 10, 2001
7S3T
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BU of 7s3t by Molmil
NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
1GTL
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BU of 1gtl by Molmil
The thermostable serine-carboxyl type proteinase, kumamolisin (KSCP) - complex with Ac-Ile-Pro-Phe-cho
Descriptor: ALDEHYDE INHIBITOR, CALCIUM ION, KUMAMOLYSIN, ...
Authors:Comellas-Bigler, M, Fuentes-Prior, P, Maskos, K, Huber, R, Oyama, H, Uchida, K, Dunn, B.M, Oda, K, Bode, W.
Deposit date:2002-01-16
Release date:2002-06-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002
1H9L
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH ACETYL-VAL-GLU-PRO-ILE-COOH
Descriptor: CALCIUM ION, ELASTASE, PEPTIDE INHIBITOR, ...
Authors:Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:2001-03-13
Release date:2001-11-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Kinetic and Crystallographic Analysis of Complexes Formed between Elastase and Peptides from Beta-Casein
Eur.J.Biochem., 268, 2001
1GUJ
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BU of 1guj by Molmil
Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation.
Descriptor: INSULIN, SULFATE ION
Authors:Whittingham, J.L, Scott, D.J, Chance, K, Wilson, A, Finch, J, Brange, J, Dodson, G.G.
Deposit date:2002-01-28
Release date:2002-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Insulin at Ph2: Structural Analysis of the Conditions Promoting Insulin Fibre Formation
J.Mol.Biol., 318, 2002
1HD3
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A-SPECTRIN SH3 DOMAIN F52Y MUTANT
Descriptor: GLYCEROL, SPECTRIN ALPHA CHAIN, SULFATE ION
Authors:Vega, M.C, Viguera, A.R, Serrano, L.
Deposit date:2000-11-06
Release date:2001-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Unspecific Hydrophobic Stabilization of Folding Transition States
Proc.Natl.Acad.Sci.USA, 99, 2002
1GVU
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Endothiapepsin complex with H189
Descriptor: ENDOTHIAPEPSIN, INHIBITOR, H189, ...
Authors:Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B.
Deposit date:2002-02-27
Release date:2002-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
7SK9
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Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662, and an intracellular Fab
Descriptor: (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ...
Authors:Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G.
Deposit date:2021-10-19
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022

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